SCHEMBL9505632

SCHEMBL9505632

CCCCCCCOCCCOCCCCNc1cc(C(=O)NCCCSC)ccc1SCC

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACAT1 P24752 1/20 0.51
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CNR2 P34972 2/20 0.41
SMPD1 P17405 1/20 0.40
NAAA Q02083 2/20 0.40
RXFP1 Q9HBX9 1/20 0.39
MLYCD O95822 1/20 0.39
CA2 P00918 1/20 0.38

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
SCHEMBL9503112 1.00 ACAT1 (0.51) ACAT1MAPTGAAHPGDL3MBTL1
SCHEMBL9505636 0.95 ACAT1 (0.45) ACAT1MAPTGAAHPGDL3MBTL1
SCHEMBL9503199 0.94 HPGD (0.47) ACAT1MAPTGAAHPGDL3MBTL1
SCHEMBL9504006 0.93 ACAT1 (0.49) ACAT1MAPTHPGDL3MBTL1SMN1; SMN2
SCHEMBL9506172 0.93 ACAT1 (0.49) ACAT1MAPTHPGDL3MBTL1SMN1; SMN2
SCHEMBL9503973 0.92 ACAT1 (0.60) ACAT1MAPTGAAHPGDL3MBTL1
SCHEMBL9502303 0.91 ACAT1 (0.61) ACAT1MAPTGAAHPGDL3MBTL1
SCHEMBL9506109 0.90 ACAT1 (0.53) ACAT1MAPTGAAHPGDL3MBTL1
SCHEMBL9502448 0.86 SMPD1 (0.53) ACAT1MAPTGAAHPGDPOLB
SCHEMBL9503964 0.85 ACAT1 (0.43) ACAT1HPGDL3MBTL1POLBSMN1; 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