SCHEMBL2582559

SCHEMBL2582559

Cc1cccc(C)c1NCC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.49
ITGB3 P05106 1/20 0.47
ITGB1 P05556 1/20 0.47
ITGAV P06756 1/20 0.47
ITGA5 P08648 1/20 0.47
MAPT P10636 3/20 0.46
LMNA P02545 3/20 0.46
BLM P54132 2/20 0.46
GAA P10253 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C9 P11712 2/20 0.46
NFKB1 P19838 1/20 0.46
CYP2C19 P33261 1/20 0.46
POLB P06746 2/20 0.44
P2RX7 Q99572 1/20 0.44
SCN3A Q9NY46 3/20 0.43
ALDH1A1 P00352 2/20 0.43
SCN1A P35498 2/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Bromide SCHEMBL2582738 0.98 PTGS2 (0.47) PTGS2ITGB3ITGB1ITGAVITGA5
SCHEMBL20153352 0.87 POLB (0.54) PTGS2ITGB3ITGB1ITGAVITGA5
SCHEMBL11141436 0.87 PTGS2 (0.57) PTGS2MAPTLMNABLMGAA
SCHEMBL11273478 0.82 DRD2 (0.46) PTGS2MAPTLMNABLMGAA
SCHEMBL11274238 0.81 ALDH1A1 (0.55) PTGS2MAPTGAAMEN1KMT2A
SCHEMBL28040969 0.80 ITGB3 (0.50) PTGS2ITGB3ITGAVMAPTLMNA
SCHEMBL11746680 0.80 KMT2A (0.47) PTGS2MAPTLMNABLMGAA
SCHEMBL11033886 0.80 HDAC6 (0.57) MAPTLMNABLMGAAMEN1
SCHEMBL28707285 0.80 MEN1 (0.61) MAPTLMNABLMGAAMEN1
SCHEMBL11135495 0.80 NLRP3 (0.46) MAPTLMNABLMGAAMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE43802-E1 α- and β-amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2012-11-13 US disclosed
US-RE42889-E1 α- and β- amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2011-11-01 US disclosed
US-7635181-B2 Ink for ink jet-recording curable through irradiation with a radioactive ray and method for preparing lithographic printing plates using the same FUJIFILM CORPORATION (JP) 2009-12-22 US disclosed
US-7635181-B2 Ink for ink jet-recording curable through irradiation with a radioactive ray and method for preparing lithographic printing plates using the same FUJIFILM CORPORATION (JP) 2009-12-22 US disclosed
US-7582410-B2 butadiene-styrene copolymer binder and a compound which undergoes decarboxylation due to heat, generates carbon dioxide gas, assists thermal decomposition of the coexisting binder polymer; high engraving sensitivity with low laser energy; forming flexographic printing plate FUJIFILM CORPORATION (JP) 2009-09-01 US disclosed
US-7582410-B2 butadiene-styrene copolymer binder and a compound which undergoes decarboxylation due to heat, generates carbon dioxide gas, assists thermal decomposition of the coexisting binder polymer; high engraving sensitivity with low laser energy; forming flexographic printing plate FUJIFILM CORPORATION (JP) 2009-09-01 US disclosed
US-7531538-B2 α- and β-Amino acid hydroxyethylamino sulfonamides useful as retroviral protease inhibitors G.D. SEARLE LLC (US) 2009-05-12 US disclosed
US-7416835-B2 Polymerizable composition FUJIFILM CORPORATION (JP) 2008-08-26 US disclosed
US-7416835-B2 Polymerizable composition FUJIFILM CORPORATION (JP) 2008-08-26 US disclosed
US-20080038663-A1 butadiene-styrene copolymer binder and a compound which undergoes decarboxylation due to heat, generates carbon dioxide gas, assists thermal decomposition of the coexisting binder polymer; high engraving sensitivity with low laser energy; forming flexographic printing plate FUJIFILM CORPORATION (JP) 2008-02-14 US disclosed
US-5905068-A Retroviral protease inhibiting compounds ABBOTT LABORATORIES (US) 1999-05-18 US disclosed
EP-0715618-B1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS SEARLE & CO (US) 1998-12-16 EP disclosed
EP-0715618-A1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1996-06-12 EP disclosed
WO-1995006030-A1 HYDROXYETHYLAMINO SULPHONAMIDES USEFUL AS RETROVIRAL PROTEASE INHIBITORS G.D. SEARLE & CO. (US) 1995-03-02 WO disclosed
US-5387585-A Treating epilepsy, anxiety, sleep disorders, schizophrnia, senile dementia HOFFMANN-LA ROCHE INC. (US) 1995-02-07 US disclosed
EP-0519307-A2 Tetracyclic Imidazodiazepines F. HOFFMANN-LA ROCHE AG (CH) 1992-12-23 EP disclosed
US-4402734-A N-(HALOALKYL)-N-(CARBOXYALKYL)ANILINE DERIVATIVE SUMITOMO CHEMICAL CO., LTD. (JP) 1983-09-06 US disclosed
US-4250183-A GASTOINTESTINAL DISORDERS; DISEASES OF THE PANCREAS, GALL BLADDER, AND LIVER BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1981-02-10 US disclosed
US-4126440-A Hydroxamic acid derivatives for regulating plant growth CIBA-GEIGY CORPORATION (US) 1978-11-21 US disclosed
US-4125515-A FOR ACRYLONITRILE-BUTADIENE OR STYRENE-BUTADIENE RUBBER THE GOODYEAR TIRE & RUBBER COMPANY (US) 1978-11-14 US disclosed