SCHEMBL9502927

SCHEMBL9502927

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACAT1 P24752 1/20 0.59
CETP P11597 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 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
HDAC3 O15379 14/20 0.47
HDAC1 Q13547 9/20 0.45
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL9506162 1.00 ACAT1 (0.59) ACAT1CETPNPC1RAB9ASMN1; SMN2
SCHEMBL9502971 1.00 ACAT1 (0.59) ACAT1CETPNPC1RAB9ASMN1; SMN2
SCHEMBL9502156 1.00 ACAT1 (0.59) ACAT1CETPNPC1RAB9ASMN1; SMN2
SCHEMBL9502436 0.95 ACAT1 (0.61) ACAT1CETPNPC1RAB9ASMN1; SMN2
SCHEMBL9503003 0.94 ACAT1 (0.54) ACAT1CETPNPC1RAB9ASMN1; SMN2
SCHEMBL9506060 0.92 ACAT1 (0.69) ACAT1CETPNPC1RAB9ASMN1; SMN2
SCHEMBL9503719 0.92 ACAT1 (0.69) ACAT1CETPNPC1RAB9ASMN1; SMN2
SCHEMBL9505475 0.92 ACAT1 (0.69) ACAT1CETPNPC1RAB9ASMN1; SMN2
SCHEMBL9502216 0.92 ACAT1 (0.50) ACAT1CETPNPC1RAB9ASMN1; SMN2
SCHEMBL9503039 0.92 ACAT1 (0.50) ACAT1CETPNPC1RAB9ASMN1; SMN2

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