SCHEMBL9506099

SCHEMBL9506099

CCCCCCCOCCCOCCCC(=O)Nc1cc(C(=O)NCCCSC)ccc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
SMPD1 P17405 5/20 0.50
ACAT1 P24752 1/20 0.47
MAPT P10636 1/20 0.45
CNR2 P34972 2/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
HPGD P15428 1/20 0.41

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
SCHEMBL9505684 0.88 ACAT1 (0.62) GAAL3MBTL1SMPD1ACAT1MAPT
SCHEMBL9502448 0.88 SMPD1 (0.53) GAASMPD1ACAT1MAPTCNR2
SCHEMBL9506109 0.86 ACAT1 (0.53) GAAL3MBTL1SMPD1ACAT1MAPT
SCHEMBL9505521 0.84 GAA (0.67) GAATDP1L3MBTL1SMPD1ACAT1
SCHEMBL9361640 0.83 ACAT1 (0.68) GAASMPD1ACAT1MAPTCNR2
SCHEMBL9502190 0.82 GAA (0.64) GAATDP1L3MBTL1SMPD1CNR2
SCHEMBL9505535 0.82 ACAT1 (0.69) GAAL3MBTL1SMPD1ACAT1MAPT
SCHEMBL9365175 0.81 MEN1 (0.54) GAASMPD1ACAT1MAPTCNR2
SCHEMBL9502175 0.81 ACAT1 (0.70) GAAL3MBTL1SMPD1ACAT1MAPT
SCHEMBL9505690 0.80 L3MBTL1 (0.41) GAATDP1L3MBTL1ACAT1MAPT

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