SCHEMBL8857264

SCHEMBL8857264

CC(COC1SC(=O)N(Cc2ccccc2)C1=O)NCC(O)Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
MAPT P10636 6/20 0.39
THRB P10828 3/20 0.39
GAA P10253 1/20 0.39
TP53 P04637 1/20 0.38
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ADRB2 P07550 6/20 0.36
ADRB1 P08588 2/20 0.36
ADRB3 P13945 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
SCHEMBL8857440 0.89 HPGD (0.43) POLBMAPTTHRBGAATP53
SCHEMBL8857706 0.89 KMT2A (0.52) POLBMAPTTHRBGAAALDH1A1
SCHEMBL8857395 0.88 POLB (0.38) POLBMAPTTHRBGAATP53
SCHEMBL8679131 0.76 MAPT (0.41) POLBMAPTTHRBGAATP53
SCHEMBL6032173 0.73 MAPT (0.54) POLBMAPTTHRBGAATP53
SCHEMBL8857258 0.73 KDM4E (0.40) MAPTALDH1A1MEN1KMT2AADRB2
SCHEMBL8657475 0.71 POLB (0.41) POLBMAPTTHRBGAATP53
SCHEMBL7469304 0.71 POLB (0.55) POLBMAPTTHRBGAATP53
SCHEMBL3774750 0.68 POLB (0.46) POLBMAPTTHRBGAATP53
SCHEMBL8577730 0.67 POLB (0.37) POLBMAPTTHRBGAATP53

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5688823-A ANTILIPEMIC AGENTS, ANTIGLYCEMIC AGENTS, OBESITY, GLUCOSE TOLERANCE INSUFFICIENCY, INSULIN RESISTANCE AND DIABETIC COMPLICATIONS SANKYO COMPANY, LIMITED (JP) 1997-11-18 US disclosed