SCHEMBL9505636

SCHEMBL9505636

CCCOCCCOCCCOCCCCNc1cc(C(=O)NCCCSC)ccc1SCC

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACAT1 P24752 1/20 0.45
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 5/20 0.41
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
NAMPT P43490 3/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
RAB9A P51151 3/20 0.37
CNR2 P34972 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 2/20 0.37
MEN1 O00255 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL9505632 0.95 ACAT1 (0.51) ACAT1MAPTGAAHPGDLMNA
SCHEMBL9503112 0.95 ACAT1 (0.51) ACAT1MAPTGAAHPGDLMNA
SCHEMBL9503199 0.93 HPGD (0.47) ACAT1MAPTGAAHPGDLMNA
SCHEMBL9506172 0.88 ACAT1 (0.49) ACAT1MAPTHPGDNAMPTSMN1; SMN2
SCHEMBL9504006 0.88 ACAT1 (0.49) ACAT1MAPTHPGDNAMPTSMN1; SMN2
SCHEMBL9503973 0.87 ACAT1 (0.60) ACAT1MAPTGAAHPGDLMNA
SCHEMBL9502303 0.86 ACAT1 (0.61) ACAT1MAPTGAAHPGDLMNA
SCHEMBL9506109 0.85 ACAT1 (0.53) ACAT1MAPTGAAHPGDLMNA
SCHEMBL9502274 0.85 ACAT1 (0.42) ACAT1MAPTHPGDPOLBNAMPT
SCHEMBL9503964 0.84 ACAT1 (0.43) ACAT1HPGDPOLBNAMPTSMN1; 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