SCHEMBL9502289

SCHEMBL9502289

CCCCCCCOCCCOCCCC(=O)Nc1cc(C(=O)NCCCS(C)(=O)=O)ccc1SC

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACAT1 P24752 1/20 0.59
HDAC3 O15379 16/20 0.42
HDAC1 Q13547 11/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 1/20 0.40
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
NCOR2 Q9Y618 1/20 0.39

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
SCHEMBL9505535 0.92 ACAT1 (0.69) ACAT1HDAC3HDAC1SMN1; SMN2NPC1
SCHEMBL9502175 0.91 ACAT1 (0.70) ACAT1HDAC3HDAC1SMN1; SMN2NPC1
SCHEMBL9505684 0.88 ACAT1 (0.62) ACAT1HDAC3HDAC1SMN1; SMN2NPC1
SCHEMBL9502195 0.83 ACAT1 (0.57) ACAT1HDAC3HDAC1SMN1; SMN2NPC1
SCHEMBL9505475 0.83 ACAT1 (0.69) ACAT1HDAC3HDAC1SMN1; SMN2NPC1
SCHEMBL9503719 0.83 ACAT1 (0.69) ACAT1HDAC3HDAC1SMN1; SMN2NPC1
SCHEMBL9506060 0.83 ACAT1 (0.69) ACAT1HDAC3HDAC1SMN1; SMN2NPC1
SCHEMBL9502420 0.82 ACAT1 (0.58) ACAT1HDAC3HDAC1SMN1; SMN2NPC1
SCHEMBL9506109 0.81 ACAT1 (0.53) ACAT1HDAC3HDAC1SMN1; SMN2NPC1
SCHEMBL9502473 0.81 ACAT1 (0.64) 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