SCHEMBL7914707

SCHEMBL7914707

O=C(O)c1ccc(OCc2ccc(Cl)cc2)cc1OCc1ccc(Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 4/20 0.63
MAOB P27338 4/20 0.63
NR4A2 P43354 2/20 0.63
MRGPRX4 Q96LA9 6/20 0.55
RXRA P19793 1/20 0.54
RXRB P28702 1/20 0.54
RXRG P48443 1/20 0.54
SLC26A4 O43511 1/20 0.53
KMT2A Q03164 1/20 0.53
MCL1 Q07820 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.51
HSD17B10 Q99714 1/20 0.51
PTGER1 P34995 1/20 0.51
PPARA Q07869 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
SCHEMBL7908820 0.96 NR4A2 (0.60) MAOAMAOBNR4A2MRGPRX4RXRA
SCHEMBL7907913 0.96 NR4A2 (0.60) MAOAMAOBNR4A2MRGPRX4RXRA
SCHEMBL31591489 0.92 MAOA (0.61) MAOAMAOBNR4A2MRGPRX4RXRA
SCHEMBL4756552 0.86 MAOB (0.63) MAOBNR4A2KMT2AMCL1SMN1; SMN2
SCHEMBL12998984 0.85 NR4A2 (0.63) MAOAMAOBNR4A2MRGPRX4RXRA
SCHEMBL7910646 0.84 MAOB (0.63) MAOAMAOBNR4A2MRGPRX4KMT2A
SCHEMBL7908609 0.84 MRGPRX4 (0.61) MAOBMRGPRX4SLC26A4KMT2AMCL1
SCHEMBL27771284 0.84 MAOB (0.66) MAOAMAOBNR4A2MRGPRX4RXRA
SCHEMBL3926335 0.83 PTGER1 (0.67) MRGPRX4MCL1PTGER1
SCHEMBL7911112 0.83 MAOB (0.57) MAOAMAOBNR4A2KMT2ASMN1; SMN2

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