SCHEMBL9498564

SCHEMBL9498564

CCCCCCCC/C=C/CCCCCCCCCC(=O)Nc1c(OC)cc(OC)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.66
CNR2 P34972 3/20 0.58
TP53 P04637 2/20 0.56
CYP3A4 P08684 2/20 0.56
MAPT P10636 2/20 0.56
KDM4E B2RXH2 1/20 0.56
ALOX15 P16050 1/20 0.56
TSHR P16473 1/20 0.56
ACAT1 P24752 1/20 0.56
SOAT1 P35610 1/20 0.56
EPHX2 P34913 2/20 0.56
FAAH O00519 1/20 0.56
TRPV1 Q8NER1 2/20 0.55
MEN1 O00255 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
HPGD P15428 1/20 0.55
MTOR P42345 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL9498573 1.00 CNR1 (0.66) CNR1CNR2TP53CYP3A4MAPT
SCHEMBL9446331 1.00 CNR1 (0.66) CNR1CNR2TP53CYP3A4MAPT
SCHEMBL9446334 1.00 CNR1 (0.66) CNR1CNR2TP53CYP3A4MAPT
SCHEMBL9498071 1.00 CNR1 (0.66) CNR1CNR2TP53CYP3A4MAPT
SCHEMBL9857301 0.98 CNR1 (0.63) CNR1CNR2EPHX2FAAH
SCHEMBL9858218 0.98 CNR1 (0.63) CNR1CNR2EPHX2FAAH
SCHEMBL9857303 0.98 CNR1 (0.63) CNR1CNR2EPHX2FAAH
SCHEMBL10716137 0.95 CNR1 (0.59) CNR1CNR2TP53CYP3A4MAPT
SCHEMBL9497942 0.92 KDM4E (0.64) CNR1TP53CYP3A4MAPTKDM4E
SCHEMBL9498652 0.92 KDM4E (0.64) CNR1TP53CYP3A4MAPTKDM4E

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
EP-0283742-B1 FATTY ACID AMIDES AS INHIBITORS OF ACYL-COA: CHOLESTEROL ACYLTRANSFERASE WARNER-LAMBERT COMPANY (US) 1993-05-26 EP claimed
EP-0283742-A2 Fatty acid amides as inhibitors of acyl-CoA: cholesterol acyltransferase WARNER-LAMBERT COMPANY (US) 1988-09-28 EP claimed
EP-0283742-B1 FATTY ACID AMIDES AS INHIBITORS OF ACYL-COA: CHOLESTEROL ACYLTRANSFERASE WARNER-LAMBERT COMPANY (US) 1993-05-26 EP disclosed
EP-0283742-A2 Fatty acid amides as inhibitors of acyl-CoA: cholesterol acyltransferase WARNER-LAMBERT COMPANY (US) 1988-09-28 EP disclosed