SCHEMBL7907433

SCHEMBL7907433

COC(=O)c1ccc(OCCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.57
MAOB P27338 3/20 0.51
FFAR1 O14842 2/20 0.51
MET P08581 2/20 0.49
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
KDM4E B2RXH2 2/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MCL1 Q07820 1/20 0.47
BCL2A1 Q16548 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAOA P21397 1/20 0.46

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
SCHEMBL7901066 0.95 MAOB (0.54) FFAR4MAOBFFAR1LMNAHPGD
SCHEMBL7908891 0.94 FFAR4 (0.56) FFAR4MAOBFFAR1METLMNA
SCHEMBL29032468 0.91 MEN1 (0.56) FFAR1NPC1MCL1BCL2A1MEN1
SCHEMBL3962253 0.91 MAOB (0.61) FFAR4MAOBLMNAHPGDKDM4E
SCHEMBL22438767 0.90 MET (0.52) FFAR4MAOBMETLMNAHPGD
SCHEMBL4566997 0.90 MAOB (0.51) FFAR4MAOBMETLMNAHPGD
SCHEMBL7914107 0.89 MAOB (0.53) FFAR4MAOBFFAR1LMNAHPGD
SCHEMBL21924287 0.88 MAOB (0.58) FFAR4MAOBLMNAHPGDNPC1
SCHEMBL7901014 0.87 MAOB (0.57) MAOBFFAR1LMNAHPGDMCL1
SCHEMBL7908069 0.87 FFAR1 (0.55) FFAR4MAOBFFAR1METMCL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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