SCHEMBL7900684

SCHEMBL7900684

O=C(O)CCC(C(=O)c1cccc(OCc2ccccc2)c1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.59
MAOB P27338 1/20 0.56
SMPD1 P17405 1/20 0.54
KMT2A Q03164 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
SRD5A2 P31213 1/20 0.53
FFAR1 O14842 1/20 0.52
PTPN1 P18031 1/20 0.52
GPR132 Q9UNW8 1/20 0.50
CYSLTR2 Q9NS75 1/20 0.48
CYSLTR1 Q9Y271 1/20 0.48
NR1H4 Q96RI1 1/20 0.48

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
SCHEMBL7900685 1.00 NR4A2 (0.59) NR4A2MAOBSMPD1KMT2ASMN1; SMN2
SCHEMBL7910935 0.93 NR4A2 (0.56) NR4A2MAOBSMPD1KMT2ASMN1; SMN2
SCHEMBL7910937 0.93 NR4A2 (0.56) NR4A2MAOBSMPD1KMT2ASMN1; SMN2
SCHEMBL7900922 0.92 MAOB (0.55) NR4A2MAOBSMPD1KMT2ASMN1; SMN2
SCHEMBL7900924 0.92 MAOB (0.55) NR4A2MAOBSMPD1KMT2ASMN1; SMN2
SCHEMBL7901169 0.92 NR4A2 (0.58) NR4A2MAOBSMPD1KMT2ASMN1; SMN2
SCHEMBL7907422 0.92 NR4A2 (0.58) NR4A2MAOBSMPD1KMT2ASMN1; SMN2
SCHEMBL7900814 0.92 NR4A2 (0.55) NR4A2MAOBSMPD1KMT2ASMN1; SMN2
SCHEMBL7900813 0.92 NR4A2 (0.55) NR4A2MAOBSMPD1KMT2ASMN1; SMN2
SCHEMBL7901058 0.91 MAOB (0.53) 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