SCHEMBL9502448

SCHEMBL9502448

CCCCCCCOCCCOCCCCNc1cc(C(=O)NCCCSC)ccc1OC

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 5/20 0.53
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
ACAT1 P24752 1/20 0.47
CNR2 P34972 2/20 0.46
PTGDR2 Q9Y5Y4 2/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
MGLL Q99685 1/20 0.44
HPGD P15428 1/20 0.43
MARS1 P56192 1/20 0.43

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
SCHEMBL9506099 0.88 GAA (0.51) SMPD1GAAMAPTACAT1CNR2
SCHEMBL9503973 0.87 ACAT1 (0.60) SMPD1GAAMAPTACAT1CNR2
SCHEMBL9502303 0.86 ACAT1 (0.61) SMPD1GAAMAPTACAT1CNR2
SCHEMBL9505632 0.86 ACAT1 (0.51) SMPD1GAAMAPTACAT1CNR2
SCHEMBL9503112 0.86 ACAT1 (0.51) SMPD1GAAMAPTACAT1CNR2
SCHEMBL9361640 0.82 ACAT1 (0.68) SMPD1GAAMAPTACAT1CNR2
SCHEMBL9505636 0.81 ACAT1 (0.45) GAAMAPTACAT1CNR2POLB
SCHEMBL9365175 0.80 MEN1 (0.54) SMPD1GAAMAPTACAT1CNR2
SCHEMBL9503199 0.80 HPGD (0.47) GAAMAPTACAT1POLBMEN1
SCHEMBL9504110 0.79 ACAT1 (0.59) SMPD1MAPTACAT1MEN1KMT2A

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