SCHEMBL7900914

SCHEMBL7900914

Cc1ccccc1C(CCC(=O)O)C(=O)c1cccc(OCc2cccc(Cl)c2)c1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.56
MAOB P27338 3/20 0.55
MAOA P21397 2/20 0.55
FFAR1 O14842 1/20 0.48
FFAR4 Q5NUL3 1/20 0.48
NPC1 O15118 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
RAB9A P51151 1/20 0.48
MEN1 O00255 1/20 0.47
SLC26A4 O43511 1/20 0.47
KMT2A Q03164 1/20 0.47
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
PKM P14618 1/20 0.45

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
SCHEMBL7900918 1.00 NR4A2 (0.56) NR4A2MAOBMAOAFFAR1FFAR4
SCHEMBL7901041 0.92 MAOB (0.54) NR4A2MAOBFFAR1
SCHEMBL7900921 0.92 MAOB (0.54) NR4A2MAOBFFAR1
SCHEMBL7900916 0.92 MAOB (0.54) NR4A2MAOBFFAR1
SCHEMBL7907970 0.91 NR4A2 (0.56) NR4A2MAOBMAOAMEN1KMT2A
SCHEMBL7907974 0.91 NR4A2 (0.56) NR4A2MAOBMAOAMEN1KMT2A
SCHEMBL8546792 0.91 MAOB (0.53) NR4A2MAOBMAOANPC1CYP1A2
SCHEMBL7901022 0.89 MRGPRX4 (0.52) NR4A2MAOBFFAR1
SCHEMBL7901026 0.89 MRGPRX4 (0.52) NR4A2MAOBFFAR1
SCHEMBL7901028 0.89 MAOB (0.46) NR4A2MAOBFFAR1

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 8 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
US-6201019-B1 ANTIINFLAMMATORY AGENTS; SIDE EFFECT REDUCTION GALDERMA RESEARCH & DEVELOPMENT (FR) 2001-03-13 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