SCHEMBL7914374

SCHEMBL7914374

N#Cc1ccc(OCc2ccc(CCC(=O)O)cc2)cc1F

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 18/20 0.67
FFAR4 Q5NUL3 8/20 0.67
AKR1B1 P15121 2/20 0.61
RXRA P19793 1/20 0.54
RXRB P28702 1/20 0.54
RXRG P48443 1/20 0.54
MAOB P27338 1/20 0.50

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
SCHEMBL7914368 0.83 FFAR1 (0.60) FFAR1FFAR4AKR1B1MAOB
SCHEMBL6985623 0.82 FFAR1 (0.65) FFAR1FFAR4AKR1B1RXRARXRB
SCHEMBL30444612 0.82 FFAR1 (0.65) FFAR1FFAR4AKR1B1RXRARXRB
SCHEMBL4435816 0.81 MAOB (0.57) FFAR1FFAR4MAOB
SCHEMBL427002 0.81 MAOB (0.74) MAOB
SCHEMBL20465388 0.79 MAOB (0.76) RXRARXRBMAOB
SCHEMBL188561 0.79 MAOB (0.55) MAOB
SCHEMBL18639804 0.79 MAOB (0.55) MAOB
SCHEMBL2113928 0.78 PTPN7 (0.49) FFAR1AKR1B1
SCHEMBL20393245 0.77 MAOB (0.45) FFAR1FFAR4MAOB

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