SCHEMBL9503973

SCHEMBL9503973

CCCCCCCOCCCOCCCCNc1cc(C(=O)NCCCSC)ccc1SC

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACAT1 P24752 1/20 0.60
MAPT P10636 2/20 0.45
GAA P10253 2/20 0.45
HPGD P15428 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
SMPD1 P17405 1/20 0.41
NAAA Q02083 2/20 0.41
MLYCD O95822 1/20 0.40
CNR2 P34972 1/20 0.40
CA2 P00918 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GLA P06280 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
SCHEMBL9502303 0.99 ACAT1 (0.61) ACAT1MAPTGAAHPGDL3MBTL1
SCHEMBL9504110 0.93 ACAT1 (0.59) ACAT1MAPTHPGDL3MBTL1SMN1; SMN2
SCHEMBL9503112 0.92 ACAT1 (0.51) ACAT1MAPTGAAHPGDL3MBTL1
SCHEMBL9505632 0.92 ACAT1 (0.51) ACAT1MAPTGAAHPGDL3MBTL1
SCHEMBL9505684 0.90 ACAT1 (0.62) ACAT1MAPTGAAHPGDL3MBTL1
SCHEMBL9505636 0.87 ACAT1 (0.45) ACAT1MAPTGAAHPGDL3MBTL1
SCHEMBL9502448 0.87 SMPD1 (0.53) ACAT1MAPTGAAHPGDPOLB
SCHEMBL9503199 0.87 HPGD (0.47) ACAT1MAPTGAAHPGDL3MBTL1
SCHEMBL9504006 0.85 ACAT1 (0.49) ACAT1MAPTHPGDL3MBTL1SMN1; SMN2
SCHEMBL9506172 0.85 ACAT1 (0.49) ACAT1MAPTHPGDL3MBTL1SMN1; 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