SCHEMBL9716964

SCHEMBL9716964

CCCCCCCOc1cccc(CCC(=O)NC(Cc2ccccc2)c2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.53
CNR2 P34972 1/20 0.53
CYP2D6 P10635 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
NFKB1 P19838 1/20 0.52
THPO P40225 1/20 0.52
BLM P54132 1/20 0.52
PMP22 Q01453 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50

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
SCHEMBL9716939 0.91 PLA2G4B (0.55) CNR1CNR2CYP2D6CYP1A2CYP2C9
SCHEMBL9716958 0.90 ITGB3 (0.60) CYP2D6CYP1A2CYP2C9NFKB1THPO
SCHEMBL9716914 0.90 ITGB3 (0.60) CYP2D6CYP1A2CYP2C9NFKB1THPO
SCHEMBL9716926 0.90 ITGB3 (0.60) CYP2D6CYP1A2CYP2C9NFKB1THPO
SCHEMBL9716932 0.85 SMN1; SMN2 (0.64) CYP2D6CYP1A2CYP2C9NFKB1THPO
SCHEMBL9716833 0.84 ITGB3 (0.57) CYP2D6CYP1A2CYP2C9NFKB1THPO
SCHEMBL8804559 0.84 ALDH1A1 (0.51) SMN1; SMN2PPARGPPARA
SCHEMBL7075139 0.82 SMN1; SMN2 (0.53) CNR2CYP2D6CYP1A2CYP2C9NFKB1
SCHEMBL25456542 0.81 PPARA (0.69) CNR1CNR2CYP2D6PPARGPPARA
SCHEMBL17345292 0.81 PPARA (0.69) CNR1CNR2CYP2D6PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992009561-A1 NEW AMIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-06-11 WO disclosed