SCHEMBL8857701

SCHEMBL8857701

CC(CON1C(=O)SC(Cc2ccccc2)C1=O)NCC(O)COc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 1/20 0.52
ADRB1 P08588 8/20 0.47
ADRB3 P13945 8/20 0.47
ADRB2 P07550 7/20 0.47
CYP2D6 P10635 2/20 0.47
DPP4 P27487 2/20 0.42
DRD4 P21917 1/20 0.39

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) KMT2AMEN1ALDH1A1ADRB1ADRB3
SCHEMBL8857435 0.89 HPGD (0.41) KMT2AMEN1ALDH1A1CYP2D6
SCHEMBL8484201 0.79 SIGMAR1 (0.45)
SCHEMBL8974677 0.77 PPARG (0.57) KMT2AMEN1ALDH1A1ADRB1ADRB3
SCHEMBL8857706 0.75 KMT2A (0.52) KMT2AMEN1ALDH1A1ADRB1ADRB3
SCHEMBL8974734 0.72 FFAR1 (0.56) ADRB1ADRB3ADRB2
SCHEMBL8857607 0.72 GRM2 (0.43)
SCHEMBL8486948 0.72 MAPT (0.44) CYP2D6
SCHEMBL6032172 0.71 MAPT (0.53) KMT2AALDH1A1CYP2D6
SCHEMBL8974649 0.71 FFAR1 (0.53) KMT2AMEN1ALDH1A1

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