SCHEMBL8857435

SCHEMBL8857435

CC(CON1C(=O)SC(Cc2ccccc2)C1=O)NCC(O)COCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CA1 P00915 3/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
POLB P06746 1/20 0.36
PPARG P37231 1/20 0.36
CASR P41180 1/20 0.36
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL8857258 0.89 KDM4E (0.40) KDM4EMAPTKMT2AMEN1ALDH1A1
SCHEMBL8857701 0.89 KMT2A (0.52) KMT2AMEN1ALDH1A1CYP2D6
SCHEMBL8484201 0.79 SIGMAR1 (0.45) KDM4EMAPT
SCHEMBL8857440 0.75 HPGD (0.43) HPGDHTTMAPK1MAPTKMT2A
SCHEMBL8975130 0.75 FFAR1 (0.52) PPARG
SCHEMBL6032172 0.71 MAPT (0.53) KDM4EMAPTKMT2AALDH1A1CA2
SCHEMBL9782591 0.70 ADRB2 (0.62) HPGDHTTCA1CA2CA7
SCHEMBL22639802 0.70 ADRB2 (0.62) HPGDHTTCA1CA2CA7
SCHEMBL11067846 0.70 ADRB2 (0.62) HPGDHTTCA1CA2CA7
SCHEMBL8664520 0.69 PPARG (0.56) KDM4EMAPTPOLBPPARGCYP1A2

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