SCHEMBL9502435

SCHEMBL9502435

CCCCCCCOCCCOCCCC(=O)Nc1cc(C(=O)NCCCOC)ccc1SCC

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACAT1 P24752 1/20 0.52
GAA P10253 1/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
HPGD P15428 4/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
HDAC3 O15379 5/20 0.42
HDAC1 Q13547 3/20 0.42
SMPD1 P17405 1/20 0.42
NAMPT P43490 1/20 0.40

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
SCHEMBL9502150 0.99 ACAT1 (0.53) ACAT1GAAMAPTSMN1; SMN2HPGD
SCHEMBL9502195 0.95 ACAT1 (0.57) ACAT1GAAMAPTSMN1; SMN2HPGD
SCHEMBL9502752 0.94 ALDH1A1 (0.45) ACAT1GAAMAPTSMN1; SMN2HPGD
SCHEMBL9502420 0.94 ACAT1 (0.58) ACAT1GAAMAPTSMN1; SMN2HPGD
SCHEMBL9502125 0.93 ACAT1 (0.54) ACAT1GAASMN1; SMN2HPGDALDH1A1
SCHEMBL9502331 0.93 ACAT1 (0.54) ACAT1GAASMN1; SMN2HPGDALDH1A1
SCHEMBL9506109 0.91 ACAT1 (0.53) ACAT1GAAMAPTSMN1; SMN2HPGD
SCHEMBL9504105 0.91 ACAT1 (0.51) ACAT1GAAMAPTSMN1; SMN2HPGD
SCHEMBL9505535 0.87 ACAT1 (0.69) ACAT1GAAMAPTSMN1; SMN2HPGD
SCHEMBL9502235 0.86 ACAT1 (0.56) ACAT1SMN1; SMN2ALDH1A1NPC1CYP1A2

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