SCHEMBL9506112

SCHEMBL9506112

CCCCCCCOCCCOCCCC(=O)Nc1cc(C(=S)NCCCSC)ccc1CC

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACAT1 P24752 1/20 0.39
HTT P42858 2/20 0.36
CETP P11597 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HPGD P15428 2/20 0.35
CNR2 P34972 5/20 0.35
CNR1 P21554 4/20 0.35
ALDH1A1 P00352 2/20 0.35
HDAC3 O15379 2/20 0.35
NPC1 O15118 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL9502202 0.93 ACAT1 (0.41) ACAT1HTTSMN1; SMN2L3MBTL1GAA
SCHEMBL9502424 0.92 ACAT1 (0.41) ACAT1HTTSMN1; SMN2L3MBTL1GAA
SCHEMBL9502962 0.92 CETP (0.42) ACAT1HTTCETPSMN1; SMN2L3MBTL1
SCHEMBL9692530 0.92 CETP (0.42) ACAT1HTTCETPSMN1; SMN2L3MBTL1
SCHEMBL9502413 0.92 CETP (0.42) ACAT1HTTCETPSMN1; SMN2L3MBTL1
SCHEMBL9505690 0.91 L3MBTL1 (0.41) ACAT1HTTCETPSMN1; SMN2L3MBTL1
SCHEMBL9503835 0.89 SMN1; SMN2 (0.41) ACAT1HTTSMN1; SMN2L3MBTL1GAA
SCHEMBL9506113 0.88 SMN1; SMN2 (0.41) ACAT1HTTSMN1; SMN2L3MBTL1GAA
SCHEMBL9692436 0.88 SMN1; SMN2 (0.39) HTTSMN1; SMN2L3MBTL1GAAHPGD
SCHEMBL9503117 0.87 ACAT1 (0.38) ACAT1SMN1; SMN2L3MBTL1GAAHPGD

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