SCHEMBL9502440

SCHEMBL9502440

CCCCCCCC/C=C\CCCCCCCC(=O)Nc1cc(C(=O)NCCOC)ccc1SC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACAT1 P24752 1/20 0.58
CNR1 P21554 8/20 0.52
ENPP2 Q13822 1/20 0.45
LPAR1 Q92633 1/20 0.45
LPAR2 Q9HBW0 1/20 0.45
SOAT2 O75908 1/20 0.45
SOAT1 P35610 1/20 0.45
PSMB11 A5LHX3 1/20 0.44
PSMA7 O14818 1/20 0.44
PSMB1 P20618 1/20 0.44
PSMA1 P25786 1/20 0.44
PSMA2 P25787 1/20 0.44
PSMA3 P25788 1/20 0.44
PSMA4 P25789 1/20 0.44
PSMB8 P28062 1/20 0.44
PSMB9 P28065 1/20 0.44
PSMA5 P28066 1/20 0.44
PSMB4 P28070 1/20 0.44
PSMB6 P28072 1/20 0.44
PSMB5 P28074 1/20 0.44

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
SCHEMBL9502444 1.00 ACAT1 (0.58) ACAT1CNR1ENPP2LPAR1LPAR2
SCHEMBL9505454 0.94 ACAT1 (0.64) ACAT1NPC1ALDH1A1CYP1A2CYP2D6
SCHEMBL9502473 0.94 ACAT1 (0.64) ACAT1NPC1ALDH1A1CYP1A2CYP2D6
SCHEMBL9502187 0.94 ACAT1 (0.64) ACAT1NPC1ALDH1A1CYP1A2CYP2D6
SCHEMBL9505430 0.92 ACAT1 (0.62) ACAT1CNR1SOAT2SOAT1PSMB11
SCHEMBL9505428 0.92 ACAT1 (0.62) ACAT1CNR1SOAT2SOAT1PSMB11
SCHEMBL9503003 0.90 ACAT1 (0.54) ACAT1CNR1LPAR1SOAT2SOAT1
SCHEMBL9506060 0.86 ACAT1 (0.69) ACAT1NPC1ALDH1A1CYP1A2CYP2D6
SCHEMBL9505475 0.86 ACAT1 (0.69) ACAT1NPC1ALDH1A1CYP1A2CYP2D6
SCHEMBL9503719 0.86 ACAT1 (0.69) ACAT1NPC1ALDH1A1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0543865-A1 BENZAMIDE DERIVATIVES RHONE-POULENC RORER LIMITED (GB) 1993-06-02 EP disclosed
WO-1992003412-A2 BENZAMIDE DERIVATIVES RHONE-POULENC RORER LIMITED (GB) 1992-03-05 WO disclosed