SCHEMBL97752

SCHEMBL97752

O=COc1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
CYP2A6 P11509 1/20 0.42
MAPT P10636 2/20 0.41
LDHA P00338 1/20 0.40
MAPK1 P28482 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
MAOA P21397 3/20 0.34
MAOB P27338 3/20 0.34
ALDH1A1 P00352 3/20 0.34
ALOX15 P16050 2/20 0.33
DRD4 P21917 2/20 0.33

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
SCHEMBL7872973 0.93 MAPK1 (0.42) CA1CA2CA9CYP2A6MAPT
SCHEMBL6454577 0.86 ALDH1A1 (0.38) CA1CA2CA9CYP2A6LMNA
SCHEMBL11511855 0.80 NCEH1 (0.47) CYP2A6MAPTMEN1LMNARAB9A
SCHEMBL5049780 0.78 ALDH1A1 (0.41) MAPTMAPK1MEN1LMNARAB9A
SCHEMBL17297207 0.78 DRD1 (0.40) CA1CA2CA9CYP2A6MAPK1
SCHEMBL9809027 0.78 ALDH1A1 (0.41) MAPTMAPK1MEN1LMNARAB9A
SCHEMBL20275928 0.74 MAPK1 (0.39) MAPTMAPK1MEN1LMNAKMT2A
SCHEMBL1224845 0.74 CYP2A6 (0.42) CA1CA2CA9CYP2A6MAPT
SCHEMBL308378 0.74 MEN1 (0.50) CA1CA2CA9MAPTMEN1
SCHEMBL6570976 0.74 CYP2A6 (0.42) CA1CA2CA9CYP2A6MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109553704-A A kind of catalytic component, catalyst and application for olefinic polymerization 中国石油化工股份有限公司 2019-04-02 CN claimed
EP-1019378-B1 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS LILLY CO ELI (US) 2004-09-29 EP claimed
US-6541497-B1 Amino acid derivatives of benzoxazin-2-ylaminoalkoxyphenylalkyl compounds ELI LILLY AND COMPANY 2003-04-01 US claimed
US-6380197-B1 FOR TREATING AND PREVENTING A PLETHORA OF DISEASES INCLUDING DIABETES AVENTIS PHARMA S. A. (FR) 2002-04-30 US claimed
US-6353027-B1 ENANTIOMORPHIC AMINE DERIVATIVES FOR TREATMENT OF DIABETES ELI LILLY AND COMPANY 2002-03-05 US claimed
EP-1019378-A4 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS LILLY CO ELI (US) 2001-09-26 EP claimed
US-6194446-B1 NON-INSULIN DEPENDENT DIABETES ELI LILLY AND COMPANY 2001-02-27 US claimed
EP-0925063-A4 HYPOGLYCEMIC AND HYPOLIPIDEMIC COMPOUNDS LILLY CO ELI (US) 2000-12-27 EP claimed
EP-0528633-B1 Pyrimidinyl acetamides as elastase inhibitors ZENECA LTD (GB) 2000-10-18 EP claimed
US-6121282-A 3-(CARBOXY, AMIDO, CYANO, OR HYDROXYAMINOCARBONYL)-6 OR 7-SUBSTITUTED-1,2,3,4-TETRAHYDROISOQUINOLINE COMPOUNDS ELI LILLY AND COMPANY (US) 2000-09-19 US claimed
EP-0636142-A1 LACTAM PEPTIDES HAVING HLE INHIBITING ACTIVITY ZENECA LIMITED (GB) 1995-02-01 EP claimed
EP-0636144-A1 ALPHA-AMINOBORONIC ACID PEPTIDES AND THEIR USE AS ELASTASE INHIBITORS ZENECA LIMITED (GB) 1995-02-01 EP claimed
US-5336782-A N-(carboxyalkoyloxy)succinimides; modifiers of proteins and enzymes to prolong their plasma half-lives; nontoxic; antitumor and -carcinogenic agents KURARAY CO., LTD. (JP) 1994-08-09 US claimed
WO-1993021209-A1 LACTAM PEPTIDES HAVING HLE INHIBITING ACTIVITY ZENECA LIMITED (GB) 1993-10-28 WO claimed
WO-1993021210-A1 PYRIMIDINYL ACETAMIDES AS ELASTASE INHIBITORS ZENECA LIMITED (GB) 1993-10-28 WO claimed
WO-1993021213-A1 ALPHA-AMINOBORONIC ACID PEPTIDES AND THEIR USE AS ELASTASE INHIBITORS ZENECA LIMITED (GB) 1993-10-28 WO claimed
WO-1993021214-A1 ALPHA-AMINOBORONIC ACID PEPTIDES AND THEIR USE AS ELASTASE INHIBITORS ZENECA LIMITED (GB) 1993-10-28 WO claimed
US-5254558-A Substituted 1,3-diazines as leukocyte elastase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-19 US claimed
EP-0528633-A1 Pyrimidinyl acetamides as elastase inhibitors ZENECA LIMITED (GB) 1993-02-24 EP claimed
EP-0509769-A2 Heterocyclic amides having HLE inhibiting activity ZENECA LIMITED (GB) 1992-10-21 EP claimed