SCHEMBL9502473

SCHEMBL9502473

CCCCCCCCCCCCCCCCC(=O)Nc1cc(C(=O)NCCOC)ccc1SC

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACAT1 P24752 1/20 0.64
CETP P11597 1/20 0.48
ALDH1A1 P00352 3/20 0.48
NPC1 O15118 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HDAC3 O15379 12/20 0.46
HDAC1 Q13547 7/20 0.46
GAA P10253 2/20 0.46
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HPGD P15428 1/20 0.44
SMPD1 P17405 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
SCHEMBL9502187 1.00 ACAT1 (0.64) ACAT1CETPALDH1A1NPC1CYP1A2
SCHEMBL9505454 1.00 ACAT1 (0.64) ACAT1CETPALDH1A1NPC1CYP1A2
SCHEMBL9502440 0.94 ACAT1 (0.58) ACAT1CETPALDH1A1NPC1CYP1A2
SCHEMBL9502444 0.94 ACAT1 (0.58) ACAT1CETPALDH1A1NPC1CYP1A2
SCHEMBL9506060 0.91 ACAT1 (0.69) ACAT1CETPALDH1A1NPC1CYP1A2
SCHEMBL9505475 0.91 ACAT1 (0.69) ACAT1CETPALDH1A1NPC1CYP1A2
SCHEMBL9503719 0.91 ACAT1 (0.69) ACAT1CETPALDH1A1NPC1CYP1A2
SCHEMBL9502971 0.88 ACAT1 (0.59) ACAT1CETPALDH1A1NPC1CYP1A2
SCHEMBL9502927 0.88 ACAT1 (0.59) ACAT1CETPALDH1A1NPC1CYP1A2
SCHEMBL9502156 0.88 ACAT1 (0.59) ACAT1CETPALDH1A1NPC1CYP1A2

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