SCHEMBL10186223

SCHEMBL10186223

COc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCCC(=N)C(C)=N)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 9/20 0.55
PPARG P37231 6/20 0.55
TSHR P16473 2/20 0.43
USP2 O75604 1/20 0.43
CYP2C9 P11712 1/20 0.41
KCNH2 Q12809 1/20 0.41
MAPT P10636 1/20 0.40
FFAR1 O14842 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
MAPK1 P28482 1/20 0.38

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
SCHEMBL10186221 0.89 PPARA (0.53) PPARAPPARGCYP2C9KCNH2
SCHEMBL10184560 0.84 PPARA (0.53) PPARAPPARGCYP2C9KCNH2
SCHEMBL10184533 0.78 PPARA (0.55) PPARAPPARGCYP2C9KCNH2
SCHEMBL6513163 0.77 PPARA (0.58) PPARAPPARGTSHRUSP2CYP2C9
SCHEMBL5441860 0.75 PPARA (0.56) PPARAPPARG
SCHEMBL5423717 0.75 PPARA (0.58) PPARAPPARGTSHRUSP2CYP2C9
SCHEMBL5437303 0.75 PPARA (0.54) PPARAPPARG
SCHEMBL5423669 0.74 PPARA (0.54) PPARAPPARGMAPTMAPK1
SCHEMBL5434312 0.74 PPARA (0.56) PPARAPPARGCYP2C9KCNH2FFAR1
SCHEMBL5428115 0.74 PPARA (0.56) PPARAPPARGTSHRCYP2C9KCNH2

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
EP-1531810-B1 SUBSTITUTED HETEROCYCLIC DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD BRISTOL MYERS SQUIBB CO (US) 2012-02-01 EP disclosed