SCHEMBL9678901

SCHEMBL9678901

CCCCCCCC/C=C\CCCCCCCCNCC(=O)Nc1c(OC)cc(OC)cc1OC

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.53
▸ TP53 P04637 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ TSHR P16473 1/20 0.53
▸ ACAT1 P24752 1/20 0.53
▸ SOAT1 P35610 1/20 0.53
▸ CNR1 P21554 10/20 0.53
▸ CNR2 P34972 4/20 0.49

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
SCHEMBL9678910 1.00 KDM4E (0.53) KDM4ETP53CYP3A4MAPTALOX15
SCHEMBL9498573 0.87 CNR1 (0.66) KDM4ETP53CYP3A4MAPTALOX15
SCHEMBL10716137 0.87 CNR1 (0.59) KDM4ETP53CYP3A4MAPTALOX15
SCHEMBL9446334 0.87 CNR1 (0.66) KDM4ETP53CYP3A4MAPTALOX15
SCHEMBL9446331 0.87 CNR1 (0.66) KDM4ETP53CYP3A4MAPTALOX15
SCHEMBL9498564 0.87 CNR1 (0.66) KDM4ETP53CYP3A4MAPTALOX15
SCHEMBL9498071 0.87 CNR1 (0.66) KDM4ETP53CYP3A4MAPTALOX15
SCHEMBL9858218 0.85 CNR1 (0.63) CNR1CNR2
SCHEMBL9857303 0.85 CNR1 (0.63) CNR1CNR2
SCHEMBL9857301 0.85 CNR1 (0.63) CNR1CNR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0415413-A1 Acat inhibitors WARNER-LAMBERT COMPANY (US) 1991-03-06 — — EP claimed
US-5153226-A Administering as anticholesterol agents, for atherosclerosis WARNER-LAMBERT COMPANY (US) 1992-10-06 — — US disclosed
EP-0415413-A1 Acat inhibitors WARNER-LAMBERT COMPANY (US) 1991-03-06 — — EP disclosed
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