SCHEMBL9505475

SCHEMBL9505475

CCCCCCCCCCCC(=O)Nc1cc(C(=O)NCCCC)ccc1SC

nearest known ligand 0.69

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACAT1 P24752 1/20 0.69
CETP P11597 1/20 0.52
HDAC3 O15379 16/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
HDAC1 Q13547 11/20 0.50
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
NCOR2 Q9Y618 1/20 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
SCHEMBL9506060 1.00 ACAT1 (0.69) ACAT1CETPHDAC3SMN1; SMN2NPC1
SCHEMBL9503719 1.00 ACAT1 (0.69) ACAT1CETPHDAC3SMN1; SMN2NPC1
SCHEMBL9505428 0.94 ACAT1 (0.62) ACAT1CETPHDAC3SMN1; SMN2NPC1
SCHEMBL9505430 0.94 ACAT1 (0.62) ACAT1CETPHDAC3SMN1; SMN2NPC1
SCHEMBL9502436 0.93 ACAT1 (0.61) ACAT1CETPHDAC3SMN1; SMN2NPC1
SCHEMBL9502971 0.92 ACAT1 (0.59) ACAT1CETPHDAC3SMN1; SMN2NPC1
SCHEMBL9502927 0.92 ACAT1 (0.59) ACAT1CETPHDAC3SMN1; SMN2NPC1
SCHEMBL9506162 0.92 ACAT1 (0.59) ACAT1CETPHDAC3SMN1; SMN2NPC1
SCHEMBL9502156 0.92 ACAT1 (0.59) ACAT1CETPHDAC3SMN1; SMN2NPC1
SCHEMBL9502175 0.92 ACAT1 (0.70) ACAT1CETPHDAC3SMN1; SMN2NPC1

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