SCHEMBL8857258

SCHEMBL8857258

CC(CON1C(=O)SC(Cc2ccccc2)C1=O)NCC(O)Cc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
PPARG P37231 4/20 0.36
ADRB2 P07550 8/20 0.34
ADRB1 P08588 4/20 0.34
ADRB3 P13945 4/20 0.34
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
SCHEMBL8857701 0.89 KMT2A (0.52) MEN1ALDH1A1KMT2AADRB2ADRB1
SCHEMBL8857435 0.89 HPGD (0.41) KDM4EMAPTMEN1ALDH1A1KMT2A
SCHEMBL8484201 0.81 SIGMAR1 (0.45) KDM4EMAPT
SCHEMBL8485569 0.79 MAPT (0.39) KDM4EMAPTALDH1A1PPARGCYP1A2
SCHEMBL6032172 0.73 MAPT (0.53) KDM4EMAPTALDH1A1KMT2APPARG
SCHEMBL8857264 0.73 POLB (0.41) MAPTMEN1ALDH1A1KMT2AADRB2
SCHEMBL8974649 0.73 FFAR1 (0.53) MAPTMEN1ALDH1A1KMT2APPARG
SCHEMBL8486705 0.73 PPARG (0.39) KDM4EMAPTPPARGCYP3A4CYP2C9
SCHEMBL7469293 0.71 MAPT (0.56) KDM4EMAPTMEN1KMT2APPARG
SCHEMBL8664520 0.71 PPARG (0.56) KDM4EMAPTPPARGCYP1A2CYP3A4

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