SCHEMBL1497100

SCHEMBL1497100

O=CCc1ccccc1-c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.48
PTGS2 P35354 2/20 0.43
PTGS1 P23219 1/20 0.43
FFAR4 Q5NUL3 2/20 0.42
FFAR1 O14842 1/20 0.42
CYP1A2 P05177 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.39
DPP4 P27487 1/20 0.38
HTR7 P34969 1/20 0.38
GCG P01275 1/20 0.38
KMT2A Q03164 1/20 0.37
SUCNR1 Q9BXA5 2/20 0.36
ADAMTS4 O75173 2/20 0.36
ADAMTS5 Q9UNA0 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL1515728 0.85 DPP4 (0.50) PTGS2FFAR4FFAR1CYP1A2SLC6A4
SCHEMBL30423174 0.85 PTGER1 (0.42) FFAR4FFAR1DPP4HTR7KMT2A
SCHEMBL6206041 0.84 DPP4 (0.54) FFAR4FFAR1SLC6A4SLC6A3DPP4
SCHEMBL28593243 0.82 DPP4 (0.52) FFAR4FFAR1SLC6A4SLC6A3DPP4
SCHEMBL9868218 0.81 CYP2C19 (0.44) CYP2C19PTGS2PTGS1FFAR4FFAR1
SCHEMBL1515790 0.81 FFAR1 (0.42) FFAR4FFAR1SLC6A4SLC6A3DPP4
SCHEMBL3905295 0.81 PTGS2 (0.43) PTGS2PTGS1FFAR4FFAR1SLC6A4
SCHEMBL1515774 0.81 CHRM1 (0.46) HTR7KMT2A
SCHEMBL1515713 0.81 PTGER1 (0.47) CYP2C19CYP1A2SLC6A4SLC6A3RAB9A
SCHEMBL10058354 0.79 PTGS2 (0.52) CYP2C19PTGS2PTGS1FFAR4FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507229-A1 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES Abbott Laboratories (US) 2012-10-10 EP disclosed
EP-2480086-A1 NOVEL DIHYDROPYRIMIDIN-2(1H)-ONE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 Pharmaceuticals, LLC (US) 2012-08-01 EP disclosed
EP-2475661-A1 SULFONAMIDES AS INHIBITORS OF BCL-2 FAMILY PROTEINS FOR THE TREATMENT OF CANCER Novartis AG (CH) 2012-07-18 EP disclosed
EP-2376197-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES Abbott Laboratories (US) 2011-10-19 EP disclosed
EP-2376480-A2 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES Abbott Laboratories (US) 2011-10-19 EP disclosed
WO-2011068561-A1 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-06-09 WO disclosed
WO-2011038204-A1 NOVEL DIHYDROPYRIMIDIN-2(1H)-ONE COMPOUNDS AS S-NITROSOGLUTATHIONE REDUCTASE INHIBITORS N30 PHARMACEUTICALS, LLC (US) 2011-03-31 WO disclosed
WO-2011029842-A1 SULFONAMIDES AS INHIBITORS OF BCL-2 FAMILY PROTEINS FOR THE TREATMENT OF CANCER NOVARTIS AG (CH) 2011-03-17 WO disclosed
WO-2010065824-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-06-10 WO disclosed
WO-2010065865-A2 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-06-10 WO disclosed