SCHEMBL9502216

SCHEMBL9502216

CCCCCCCCCCCCCCCC(=O)Nc1cc(C(=O)NCCSC)ccc1SCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACAT1 P24752 1/20 0.50
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HTT P42858 1/20 0.47
HDAC3 O15379 16/20 0.46
HDAC1 Q13547 12/20 0.46
CETP P11597 1/20 0.45
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL9503039 1.00 ACAT1 (0.50) ACAT1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9502406 0.95 ACAT1 (0.52) ACAT1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9503862 0.95 ACAT1 (0.52) ACAT1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9502960 0.95 ACAT1 (0.52) ACAT1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9502971 0.92 ACAT1 (0.59) ACAT1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9502156 0.92 ACAT1 (0.59) ACAT1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9506162 0.92 ACAT1 (0.59) ACAT1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9502927 0.92 ACAT1 (0.59) ACAT1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9692486 0.91 ACAT1 (0.56) ACAT1NPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9502446 0.91 ACAT1 (0.56) ACAT1NPC1RAB9ASMN1; SMN2ALDH1A1

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