SCHEMBL7445017

SCHEMBL7445017

CCCC[C@H](NC(=O)[C@H](Cc1cccnc1)NS(=O)(=O)c1ccc(OC)c(OC)c1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.48
ITGAV P06756 1/20 0.48
PDE4A P27815 3/20 0.47
PDE4B Q07343 3/20 0.47
PDE4C Q08493 3/20 0.47
PDE4D Q08499 3/20 0.47
NAMPT P43490 2/20 0.45
PKM P14618 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
TBXA2R P21731 1/20 0.43
TBXAS1 P24557 1/20 0.43
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTAFR P25105 2/20 0.42

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
SCHEMBL7451514 0.90 ITGB3 (0.55) ITGB3ITGAVKMT2AMEN1MAPT
SCHEMBL7448467 0.84 PDE4A (0.49) ITGB3ITGAVPDE4APDE4BPDE4C
SCHEMBL7448898 0.82 ITGB3 (0.47) ITGB3ITGAVPDE4APDE4BPDE4C
SCHEMBL7445397 0.82 KMT2A (0.52) ITGB3ITGAVPDE4APDE4BPDE4C
SCHEMBL7446736 0.81 ITGB3 (0.46) ITGB3ITGAVKMT2AMEN1MAPT
SCHEMBL7449150 0.81 ITGB3 (0.46) ITGB3ITGAVPDE4APDE4BPDE4C
SCHEMBL7444233 0.79 ITGB3 (0.47) ITGB3ITGAVPDE4APDE4BPDE4C
SCHEMBL7446281 0.74 FPR2 (0.45) ITGB3ITGAVPDE4APDE4BPDE4C
SCHEMBL27041687 0.74 FOLH1 (0.48) PKMKMT2ATBXAS1
SCHEMBL27041689 0.74 FOLH1 (0.48) PKMKMT2ATBXAS1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6221888-B1 ANTIHISTAMINE, ANTIINFLAMMATORY AGENT, AUTOIMMUNE DISEASE, RHEUMATIC DISORDERS MERCK & CO., INC. 2001-04-24 US claimed
EP-0998282-A4 SULFONAMIDES AS CELL ADHESION INHIBITORS MERCK & CO INC (US) 2000-08-30 EP claimed
EP-0998282-A1 SULFONAMIDES AS CELL ADHESION INHIBITORS Merck & Co., Inc. (a New Jersey corp.) (US) 2000-05-10 EP claimed
WO-1998053818-A1 SULFONAMIDES AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 1998-12-03 WO claimed