SCHEMBL7900842

SCHEMBL7900842

Cc1cccc(C(CCC(=O)O)C(=O)c2cc(O)cc(OCc3ccccc3)c2)c1C

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
FFAR1 O14842 3/20 0.42
MAOB P27338 1/20 0.42
NR4A2 P43354 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41

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
SCHEMBL7900846 1.00 MEN1 (0.43) MEN1KMT2AFFAR1MAOBNR4A2
SCHEMBL7908750 0.93 MEN1 (0.45) MEN1KMT2AFFAR1MAOB
SCHEMBL7908752 0.93 MEN1 (0.45) MEN1KMT2AFFAR1MAOB
SCHEMBL7900943 0.87 MEN1 (0.51) MEN1KMT2AFFAR1MAOB
SCHEMBL7900946 0.87 MEN1 (0.51) MEN1KMT2AFFAR1MAOB
SCHEMBL7900921 0.83 MAOB (0.54) FFAR1MAOBNR4A2
SCHEMBL7900916 0.83 MAOB (0.54) FFAR1MAOBNR4A2
SCHEMBL7901041 0.83 MAOB (0.54) FFAR1MAOBNR4A2
SCHEMBL7909065 0.82 FFAR1 (0.47) MEN1KMT2AFFAR1FFAR4
SCHEMBL7909072 0.82 FFAR1 (0.47) MEN1KMT2AFFAR1FFAR4

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