SCHEMBL9503862

SCHEMBL9503862

CCCCCCCCCCCCCCCCCC(=O)Nc1cc(C(=O)NCCCSC)ccc1SCC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACAT1 P24752 1/20 0.52
HDAC3 O15379 16/20 0.48
HDAC1 Q13547 12/20 0.48
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CETP P11597 1/20 0.44
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
NCOR2 Q9Y618 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
SCHEMBL9502406 1.00 ACAT1 (0.52) ACAT1HDAC3HDAC1NPC1ALDH1A1
SCHEMBL9502960 1.00 ACAT1 (0.52) ACAT1HDAC3HDAC1NPC1ALDH1A1
SCHEMBL9503039 0.95 ACAT1 (0.50) ACAT1HDAC3HDAC1NPC1ALDH1A1
SCHEMBL9502216 0.95 ACAT1 (0.50) ACAT1HDAC3HDAC1NPC1ALDH1A1
SCHEMBL9502446 0.93 ACAT1 (0.56) ACAT1HDAC3HDAC1NPC1ALDH1A1
SCHEMBL9502235 0.93 ACAT1 (0.56) ACAT1HDAC3HDAC1NPC1ALDH1A1
SCHEMBL9692486 0.93 ACAT1 (0.56) ACAT1HDAC3HDAC1NPC1ALDH1A1
SCHEMBL9505662 0.93 ACAT1 (0.56) ACAT1HDAC3HDAC1NPC1ALDH1A1
SCHEMBL9502436 0.92 ACAT1 (0.61) ACAT1HDAC3HDAC1NPC1ALDH1A1
SCHEMBL9506109 0.92 ACAT1 (0.53) ACAT1HDAC3HDAC1NPC1ALDH1A1

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