SCHEMBL9506172

SCHEMBL9506172

CCCCCCCCCCCCCCCCCCNc1cc(C(=O)NCCCSC)ccc1SCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACAT1 P24752 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47
NAAA Q02083 3/20 0.45
HPGD P15428 2/20 0.44
MLYCD O95822 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
CA2 P00918 1/20 0.43
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
NAMPT P43490 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC3 O15379 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
SCHEMBL9504006 1.00 ACAT1 (0.49) ACAT1L3MBTL1NAAAHPGDMLYCD
SCHEMBL9503112 0.93 ACAT1 (0.51) ACAT1L3MBTL1NAAAHPGDMLYCD
SCHEMBL9505632 0.93 ACAT1 (0.51) ACAT1L3MBTL1NAAAHPGDMLYCD
SCHEMBL9503964 0.92 ACAT1 (0.43) ACAT1L3MBTL1NAAAHPGDMLYCD
SCHEMBL9504110 0.91 ACAT1 (0.59) ACAT1L3MBTL1NAAAHPGDMLYCD
SCHEMBL9502274 0.90 ACAT1 (0.42) ACAT1L3MBTL1HPGDSMN1; SMN2MEN1
SCHEMBL9502960 0.89 ACAT1 (0.52) ACAT1L3MBTL1SMN1; SMN2ALDH1A1HDAC3
SCHEMBL9503862 0.89 ACAT1 (0.52) ACAT1L3MBTL1SMN1; SMN2ALDH1A1HDAC3
SCHEMBL9502406 0.89 ACAT1 (0.52) ACAT1L3MBTL1SMN1; SMN2ALDH1A1HDAC3
SCHEMBL9505636 0.88 ACAT1 (0.45) ACAT1L3MBTL1HPGDSMN1; SMN2MEN1

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