SCHEMBL7914368

SCHEMBL7914368

N#Cc1ccc(OCc2ccccc2CCC(=O)O)cc1F

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 15/20 0.60
AKR1B1 P15121 1/20 0.47
FFAR4 Q5NUL3 11/20 0.47
TSPO P30536 1/20 0.47
DRD3 P35462 1/20 0.47
PTGER1 P34995 1/20 0.46
PTGER4 P35408 1/20 0.46
PTGER3 P43115 1/20 0.46
PTGER2 P43116 1/20 0.46
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
MAOB P27338 1/20 0.45

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
SCHEMBL7914374 0.83 FFAR1 (0.67) FFAR1AKR1B1FFAR4MAOB
SCHEMBL1482485 0.83 MRGPRX4 (0.47) FFAR1MAOB
SCHEMBL1481917 0.80 PARP10 (0.45) FFAR1MAOB
SCHEMBL1482752 0.78 PARP10 (0.48) FFAR1MAOB
SCHEMBL2113928 0.76 PTPN7 (0.49) FFAR1AKR1B1
SCHEMBL427002 0.76 MAOB (0.74) MAOB
SCHEMBL30444612 0.72 FFAR1 (0.65) FFAR1AKR1B1FFAR4
SCHEMBL6985623 0.72 FFAR1 (0.65) FFAR1AKR1B1FFAR4
SCHEMBL30740885 0.71 FFAR1 (0.62) FFAR1AKR1B1FFAR4TSPODRD3
SCHEMBL447652 0.71 FFAR1 (0.62) FFAR1AKR1B1FFAR4TSPODRD3

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-6211234-B1 BENZONITRILE COMPOUNDS WITH ETHER AND SULFIDE GROUPS WITH CARBOXY ACID RHONE-POULENC RORER LIMITED (GB) 2001-04-03 US disclosed
EP-0728128-B1 SUBSTITUTED PHENYL COMPOUNDS RHONE POULENC RORER LTD (GB) 1998-09-16 EP disclosed
EP-0728128-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1996-08-28 EP disclosed
WO-1995013262-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1995-05-18 WO disclosed