SCHEMBL7900814

SCHEMBL7900814

O=C(O)CCCC[C@H](C(=O)c1cccc(OCc2ccccc2)c1)c1ccccc1

nearest known ligand 0.85

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.55
MAOB P27338 1/20 0.53
SMPD1 P17405 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SRD5A2 P31213 1/20 0.50
FFAR1 O14842 1/20 0.49
PTPN1 P18031 1/20 0.49
FFAR4 Q5NUL3 1/20 0.47
GPR132 Q9UNW8 1/20 0.47

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
SCHEMBL7900813 1.00 NR4A2 (0.55) NR4A2MAOBSMPD1KMT2ASMN1; SMN2
SCHEMBL7910937 0.97 NR4A2 (0.56) NR4A2MAOBSMPD1KMT2ASMN1; SMN2
SCHEMBL7910935 0.97 NR4A2 (0.56) NR4A2MAOBSMPD1KMT2ASMN1; SMN2
SCHEMBL7900684 0.92 NR4A2 (0.59) NR4A2MAOBSMPD1KMT2ASMN1; SMN2
SCHEMBL7900685 0.92 NR4A2 (0.59) NR4A2MAOBSMPD1KMT2ASMN1; SMN2
SCHEMBL8546993 0.87 MAOB (0.50) NR4A2MAOBSMPD1KMT2ASMN1; SMN2
SCHEMBL7908735 0.84 KMT2A (0.63) NR4A2MAOBSMPD1KMT2ASMN1; SMN2
SCHEMBL7908732 0.84 KMT2A (0.63) NR4A2MAOBSMPD1KMT2ASMN1; SMN2
SCHEMBL7900924 0.84 MAOB (0.55) NR4A2MAOBSMPD1KMT2ASMN1; SMN2
SCHEMBL7900922 0.84 MAOB (0.55) NR4A2MAOBSMPD1KMT2ASMN1; 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