SCHEMBL9506109

SCHEMBL9506109

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACAT1 P24752 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
NPC1 O15118 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
HDAC3 O15379 7/20 0.41
HDAC1 Q13547 2/20 0.41
HPGD P15428 3/20 0.41
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
CNR2 P34972 1/20 0.39
SMPD1 P17405 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
SCHEMBL9502195 0.94 ACAT1 (0.57) ACAT1SMN1; SMN2ALDH1A1NPC1CYP1A2
SCHEMBL9505684 0.93 ACAT1 (0.62) ACAT1SMN1; SMN2ALDH1A1NPC1CYP1A2
SCHEMBL9502420 0.93 ACAT1 (0.58) ACAT1SMN1; SMN2ALDH1A1NPC1CYP1A2
SCHEMBL9502960 0.92 ACAT1 (0.52) ACAT1SMN1; SMN2ALDH1A1NPC1CYP1A2
SCHEMBL9503862 0.92 ACAT1 (0.52) ACAT1SMN1; SMN2ALDH1A1NPC1CYP1A2
SCHEMBL9502406 0.92 ACAT1 (0.52) ACAT1SMN1; SMN2ALDH1A1NPC1CYP1A2
SCHEMBL9502435 0.91 ACAT1 (0.52) ACAT1SMN1; SMN2ALDH1A1NPC1CYP1A2
SCHEMBL9502150 0.90 ACAT1 (0.53) ACAT1SMN1; SMN2ALDH1A1NPC1CYP1A2
SCHEMBL9503112 0.90 ACAT1 (0.51) ACAT1SMN1; SMN2HPGDMAPTGAA
SCHEMBL9505632 0.90 ACAT1 (0.51) ACAT1SMN1; SMN2HPGDMAPTGAA

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