SCHEMBL7907533

SCHEMBL7907533

COc1cccc(COc2ccc(C(=O)O)c(OCc3ccccc3)c2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 6/20 0.62
MRGPRX4 Q96LA9 3/20 0.62
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TP53 P04637 1/20 0.56
PKM P14618 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
NR4A2 P43354 1/20 0.55
FFAR1 O14842 1/20 0.54
ABCB1 P08183 1/20 0.54
HTR1A P08908 1/20 0.54
DRD2 P14416 1/20 0.54
PARP15 Q460N3 1/20 0.54
HDAC8 Q9BY41 1/20 0.53
KDM4E B2RXH2 1/20 0.53
NPC1 O15118 1/20 0.53
GAA P10253 1/20 0.53

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
SCHEMBL6404086 0.92 HDAC8 (0.60) MAOBMRGPRX4RAB9ASMN1; SMN2TP53
SCHEMBL31550547 0.92 HDAC8 (0.60) MAOBMRGPRX4RAB9ASMN1; SMN2TP53
SCHEMBL7900610 0.91 RAB9A (0.58) MAOBMRGPRX4RAB9ASMN1; SMN2TP53
SCHEMBL7910785 0.90 MAOB (0.59) MAOBMRGPRX4RAB9ASMN1; SMN2TP53
SCHEMBL1388008 0.88 MRGPRX4 (0.59) MAOBMRGPRX4RAB9ASMN1; SMN2TP53
SCHEMBL1448026 0.88 MAOB (0.61) MAOBMRGPRX4RAB9ASMN1; SMN2NR4A2
SCHEMBL4756552 0.88 MAOB (0.63) MAOBSMN1; SMN2NR4A2KDM4E
SCHEMBL11283190 0.87 MAOB (0.59) MAOBMRGPRX4RAB9ASMN1; SMN2NR4A2
SCHEMBL6087522 0.85 CYSLTR1 (0.60) TP53KDM4ENPC1
SCHEMBL27879847 0.83 MRGPRX4 (0.64) MAOBMRGPRX4RAB9ASMN1; SMN2TP53

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