SCHEMBL7900898

SCHEMBL7900898

O=C(O)CCC(C(=O)c1cccc(OCc2ccccc2)c1)c1c(F)cccc1Cl

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 6/20 0.49
MAOB P27338 1/20 0.47
SMPD1 P17405 1/20 0.46
FFAR4 Q5NUL3 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SRD5A2 P31213 1/20 0.45
FFAR1 O14842 1/20 0.44
PTPN1 P18031 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
KMT2A Q03164 2/20 0.43
GPR132 Q9UNW8 1/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL7900901 1.00 NR4A2 (0.49) NR4A2MAOBSMPD1FFAR4NPC1
SCHEMBL7909062 0.93 NR4A2 (0.54) NR4A2MAOBSMPD1NPC1RAB9A
SCHEMBL7909059 0.93 NR4A2 (0.54) NR4A2MAOBSMPD1NPC1RAB9A
SCHEMBL8546173 0.91 MAOB (0.47) NR4A2MAOBSMPD1NPC1RAB9A
SCHEMBL7901053 0.85 NR4A2 (0.53) NR4A2MAOBSMPD1NPC1RAB9A
SCHEMBL7901060 0.85 NR4A2 (0.53) NR4A2MAOBSMPD1NPC1RAB9A
SCHEMBL8545953 0.83 MAOB (0.51) NR4A2MAOBSMPD1NPC1RAB9A
SCHEMBL7900685 0.82 NR4A2 (0.59) NR4A2MAOBSMPD1SRD5A2FFAR1
SCHEMBL7900684 0.82 NR4A2 (0.59) NR4A2MAOBSMPD1SRD5A2FFAR1
SCHEMBL7901059 0.82 NR4A2 (0.51) NR4A2MAOBSMPD1SRD5A2FFAR1

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