SCHEMBL7909052

SCHEMBL7909052

COC(=O)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.53
ALDH1A1 P00352 2/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
FFAR1 O14842 1/20 0.51
MAOB P27338 4/20 0.50
FFAR4 Q5NUL3 1/20 0.50
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
MAPT P10636 1/20 0.47
SLC26A4 O43511 1/20 0.47
NOTUM Q6P988 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
SCHEMBL7911112 0.89 MAOB (0.57) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7910948 0.89 MAOB (0.57) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL3962253 0.89 MAOB (0.61) ALDH1A1NPC1RAB9ASMN1; SMN2MEN1
SCHEMBL7908609 0.88 MRGPRX4 (0.61) MRGPRX4ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7907439 0.87 MAOB (0.56) MRGPRX4ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7908641 0.86 ALOX5 (0.55) MRGPRX4NPC1MAOBFFAR4MAPT
SCHEMBL7910727 0.85 RXRA (0.54) MRGPRX4ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7910894 0.84 FFAR4 (0.65) MRGPRX4KMT2AMAOBFFAR4MAPT
SCHEMBL16239894 0.84 FFAR1 (0.51) MRGPRX4MEN1KMT2AFFAR1MAOB
SCHEMBL7907944 0.84 MAOB (0.56) MRGPRX4MEN1KMT2AFFAR1MAOB

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