SCHEMBL7901066

SCHEMBL7901066

COC(=O)c1ccc(OCc2ccccc2)cc1OCCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.54
FFAR4 Q5NUL3 2/20 0.54
FFAR1 O14842 3/20 0.51
LTB4R Q15722 1/20 0.48
LTB4R2 Q9NPC1 1/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 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
SCHEMBL7907433 0.95 FFAR4 (0.57) MAOBFFAR4FFAR1LMNAHPGD
SCHEMBL7914107 0.94 MAOB (0.53) MAOBFFAR4FFAR1LTB4RLTB4R2
SCHEMBL21924287 0.93 MAOB (0.58) MAOBFFAR4LMNAHPGDNPC1
SCHEMBL3962253 0.91 MAOB (0.61) MAOBFFAR4LMNAHPGDNPC1
SCHEMBL21924210 0.90 MAOB (0.54) MAOBFFAR4LMNAHPGDNPC1
SCHEMBL7908891 0.89 FFAR4 (0.56) MAOBFFAR4FFAR1LMNAHPGD
SCHEMBL6042849 0.89 NPC1 (0.58) MAOBFFAR4LMNAHPGDNPC1
SCHEMBL29032468 0.88 MEN1 (0.56) FFAR1NPC1MTNR1AMTNR1BALDH1A1
SCHEMBL3191667 0.88 MAOB (0.58) MAOBFFAR4LMNAHPGDNPC1
SCHEMBL3201763 0.87 MAOB (0.57) MAOBFFAR4LMNAHPGDNPC1

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