SCHEMBL7908820

SCHEMBL7908820

O=C(O)c1ccc(OCc2ccccc2)cc1OCc1ccc(Cl)cc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.60
MAOB P27338 4/20 0.59
MAOA P21397 3/20 0.59
MCL1 Q07820 2/20 0.58
PTGER1 P34995 1/20 0.57
MRGPRX4 Q96LA9 2/20 0.57
RXRA P19793 1/20 0.53
RXRB P28702 1/20 0.53
RXRG P48443 1/20 0.53
FOLH1 Q04609 1/20 0.53
MEN1 O00255 1/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NR4A1 P22736 1/20 0.51
NR4A3 Q92570 1/20 0.51

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
SCHEMBL7907913 1.00 NR4A2 (0.60) NR4A2MAOBMAOAMCL1PTGER1
SCHEMBL7914707 0.96 MAOA (0.63) NR4A2MAOBMAOAMCL1PTGER1
SCHEMBL4756552 0.91 MAOB (0.63) NR4A2MAOBMCL1FOLH1MEN1
SCHEMBL3926335 0.88 PTGER1 (0.67) MCL1PTGER1MRGPRX4FOLH1NPC1
SCHEMBL7908609 0.88 MRGPRX4 (0.61) MAOBMCL1PTGER1MRGPRX4FOLH1
SCHEMBL31591489 0.88 MAOA (0.61) NR4A2MAOBMAOAMCL1MRGPRX4
SCHEMBL7911112 0.87 MAOB (0.57) NR4A2MAOBMAOAPTGER1MEN1
SCHEMBL7910948 0.87 MAOB (0.57) NR4A2MAOBMAOAPTGER1MEN1
SCHEMBL7908630 0.86 NR4A2 (0.60) NR4A2MAOBMAOAMCL1FOLH1
SCHEMBL7900610 0.86 RAB9A (0.58) MAOBMCL1MRGPRX4RXRAFOLH1

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