SCHEMBL9502446

SCHEMBL9502446

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

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACAT1 P24752 1/20 0.56
HDAC3 O15379 15/20 0.52
HDAC1 Q13547 11/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
CETP P11597 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL9502235 1.00 ACAT1 (0.56) ACAT1HDAC3HDAC1SMN1; SMN2NPC1
SCHEMBL9692486 1.00 ACAT1 (0.56) ACAT1HDAC3HDAC1SMN1; SMN2NPC1
SCHEMBL9505662 1.00 ACAT1 (0.56) ACAT1HDAC3HDAC1SMN1; SMN2NPC1
SCHEMBL9502406 0.93 ACAT1 (0.52) ACAT1HDAC3HDAC1SMN1; SMN2NPC1
SCHEMBL9503862 0.93 ACAT1 (0.52) ACAT1HDAC3HDAC1SMN1; SMN2NPC1
SCHEMBL9502960 0.93 ACAT1 (0.52) ACAT1HDAC3HDAC1SMN1; SMN2NPC1
SCHEMBL9502125 0.93 ACAT1 (0.54) ACAT1HDAC3HDAC1SMN1; SMN2NPC1
SCHEMBL9502331 0.93 ACAT1 (0.54) ACAT1HDAC3HDAC1SMN1; SMN2NPC1
SCHEMBL9502197 0.92 ACAT1 (0.51) ACAT1HDAC3HDAC1SMN1; SMN2NPC1
SCHEMBL9502420 0.92 ACAT1 (0.58) ACAT1HDAC3HDAC1SMN1; 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