SCHEMBL9503199

SCHEMBL9503199

CCOCCCOCCCOCCCCCNc1cc(C(=O)NCCCSC)ccc1SCC

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.47
ACAT1 P24752 1/20 0.44
RAB9A P51151 3/20 0.43
NPC1 O15118 3/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 4/20 0.39
GAA P10253 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 2/20 0.38
NAMPT P43490 1/20 0.38
POLB P06746 1/20 0.37
MEN1 O00255 2/20 0.37

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 0.94 ACAT1 (0.51) HPGDACAT1SMN1; SMN2L3MBTL1MAPT
SCHEMBL9503112 0.94 ACAT1 (0.51) HPGDACAT1SMN1; SMN2L3MBTL1MAPT
SCHEMBL9505636 0.93 ACAT1 (0.45) HPGDACAT1RAB9ANPC1SMN1; SMN2
SCHEMBL9506172 0.87 ACAT1 (0.49) HPGDACAT1RAB9ANPC1SMN1; SMN2
SCHEMBL9504006 0.87 ACAT1 (0.49) HPGDACAT1RAB9ANPC1SMN1; SMN2
SCHEMBL9503973 0.87 ACAT1 (0.60) HPGDACAT1SMN1; SMN2L3MBTL1MAPT
SCHEMBL9502303 0.85 ACAT1 (0.61) HPGDACAT1SMN1; SMN2L3MBTL1MAPT
SCHEMBL9503964 0.85 ACAT1 (0.43) HPGDACAT1RAB9ANPC1SMN1; SMN2
SCHEMBL9506109 0.84 ACAT1 (0.53) HPGDACAT1RAB9ANPC1SMN1; SMN2
SCHEMBL9502274 0.84 ACAT1 (0.42) HPGDACAT1RAB9ANPC1SMN1; 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