SCHEMBL7909065

SCHEMBL7909065

COc1ccc(COc2cc(OCc3ccccc3)cc(C(=O)C(CCC(=O)O)c3ccccc3C)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44

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
SCHEMBL7909072 1.00 FFAR1 (0.47) FFAR1MEN1KMT2ANPC1POLB
SCHEMBL7900943 0.94 MEN1 (0.51) FFAR1MEN1KMT2A
SCHEMBL7900946 0.94 MEN1 (0.51) FFAR1MEN1KMT2A
SCHEMBL7907467 0.91 SMPD1 (0.52) FFAR1
SCHEMBL7907471 0.91 SMPD1 (0.52) FFAR1
SCHEMBL8546901 0.91 MEN1 (0.42) FFAR1MEN1KMT2ANPC1POLB
SCHEMBL7908752 0.89 MEN1 (0.45) FFAR1MEN1KMT2A
SCHEMBL7908750 0.89 MEN1 (0.45) FFAR1MEN1KMT2A
SCHEMBL7900921 0.85 MAOB (0.54) FFAR1
SCHEMBL7900916 0.85 MAOB (0.54) FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0728128-B1 SUBSTITUTED PHENYL COMPOUNDS RHONE POULENC RORER LTD (GB) 1998-09-16 EP claimed
EP-0728128-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1996-08-28 EP claimed
WO-1995013262-A1 SUBSTITUTED PHENYL COMPOUNDS RHONE-POULENC RORER LIMITED (GB) 1995-05-18 WO claimed
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