SCHEMBL7900610

SCHEMBL7900610

COc1ccc(COc2ccc(C(=O)O)c(OCc3ccccc3)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
NPC1 O15118 2/20 0.58
POLB P06746 1/20 0.58
MAOB P27338 2/20 0.58
TP53 P04637 2/20 0.57
MRGPRX4 Q96LA9 2/20 0.57
PKM P14618 1/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
RXFP1 Q9HBX9 1/20 0.57
PPARA Q07869 1/20 0.56
MCL1 Q07820 1/20 0.55
FOLH1 Q04609 1/20 0.53
ABCB1 P08183 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
KDM4E B2RXH2 1/20 0.53
GAA P10253 1/20 0.53
RXRA P19793 1/20 0.52

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
SCHEMBL31550547 0.93 HDAC8 (0.60) RAB9ASMN1; SMN2NPC1POLBMAOB
SCHEMBL6404086 0.93 HDAC8 (0.60) RAB9ASMN1; SMN2NPC1POLBMAOB
SCHEMBL1448026 0.92 MAOB (0.61) RAB9ASMN1; SMN2NPC1MAOBMRGPRX4
SCHEMBL29032420 0.92 SMN1; SMN2 (0.61) RAB9ASMN1; SMN2NPC1POLBMAOB
SCHEMBL4756552 0.91 MAOB (0.63) SMN1; SMN2MAOBMCL1FOLH1KDM4E
SCHEMBL7907533 0.91 MAOB (0.62) RAB9ASMN1; SMN2NPC1MAOBTP53
SCHEMBL11283190 0.90 MAOB (0.59) RAB9ASMN1; SMN2NPC1MAOBMRGPRX4
SCHEMBL7907439 0.89 MAOB (0.56) RAB9ASMN1; SMN2NPC1POLBMAOB
SCHEMBL1388037 0.87 RXRA (0.60) RAB9ASMN1; SMN2NPC1POLBTP53
SCHEMBL7908630 0.86 NR4A2 (0.60) MAOBPPARAMCL1FOLH1

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