SCHEMBL9716833

SCHEMBL9716833

CCCCCCCOc1ccc(CCCC(=O)NC(Cc2ccccc2)c2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.57
ITGA2B P08514 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
NFKB1 P19838 1/20 0.56
THPO P40225 1/20 0.56
BLM P54132 1/20 0.56
PMP22 Q01453 1/20 0.56
ENPP2 Q13822 1/20 0.53
ALDH1A1 P00352 1/20 0.53
KMT2A Q03164 1/20 0.53
FFAR1 O14842 2/20 0.52
GPR88 Q9GZN0 2/20 0.52
LPAR1 Q92633 2/20 0.52
LPAR3 Q9UBY5 2/20 0.52

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
SCHEMBL9716914 0.95 ITGB3 (0.60) ITGB3ITGA2BSMN1; SMN2CYP1A2CYP2D6
SCHEMBL9716958 0.95 ITGB3 (0.60) ITGB3ITGA2BSMN1; SMN2CYP1A2CYP2D6
SCHEMBL9716926 0.95 ITGB3 (0.60) ITGB3ITGA2BSMN1; SMN2CYP1A2CYP2D6
SCHEMBL9716932 0.90 SMN1; SMN2 (0.64) ITGB3ITGA2BSMN1; SMN2CYP1A2CYP2D6
SCHEMBL9716964 0.84 CNR1 (0.53) ITGB3ITGA2BSMN1; SMN2CYP1A2CYP2D6
SCHEMBL9716935 0.83 PPARG (0.60) ITGB3ITGA2BKMT2AGPR88
SCHEMBL7075139 0.81 SMN1; SMN2 (0.53) SMN1; SMN2CYP1A2CYP2D6CYP2C9NFKB1
SCHEMBL9716939 0.81 PLA2G4B (0.55) ITGB3ITGA2BSMN1; SMN2CYP1A2CYP2D6
SCHEMBL9716834 0.79 SMN1; SMN2 (0.56) ITGB3ITGA2BSMN1; SMN2CYP1A2CYP2D6
SCHEMBL27571058 0.79 SMN1; SMN2 (0.58) ITGB3ITGA2BSMN1; SMN2CYP1A2CYP2D6

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