SCHEMBL14286252

SCHEMBL14286252

CCOC(C)(Cc1ccc(OC(C)N2CCOc3ccccc32)cc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
LMNA P02545 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
THRB P10828 2/20 0.36
NOTUM Q6P988 1/20 0.36
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
TP53 P04637 4/20 0.35
NPC1 O15118 1/20 0.35
TSHR P16473 1/20 0.35
POLB P06746 1/20 0.34
SLC22A12 Q96S37 1/20 0.33
RORC P51449 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
SCHEMBL14286088 0.90 PPARG (0.46) PPARGPPARA
SCHEMBL14286248 0.85 MAPT (0.41) MAPTLMNARXFP1THRBNOTUM
SCHEMBL14286081 0.84 MAPT (0.37) MAPTLMNARXFP1THRBNOTUM
SCHEMBL5100738 0.81 MAPT (0.45) MAPTLMNARXFP1PPARGPPARA
SCHEMBL14224012 0.79 PPARA (0.58) PPARGPPARA
SCHEMBL14286068 0.79 PPARA (0.58) PPARGPPARA
SCHEMBL14286078 0.79 MAPT (0.43) MAPTLMNARXFP1THRBNOTUM
SCHEMBL14286222 0.79 MAPT (0.36) MAPTLMNARXFP1THRBNOTUM
SCHEMBL14286469 0.79 PPARG (0.41) MAPTLMNARXFP1THRBNOTUM
SCHEMBL14286221 0.78 PPARG (0.50) PPARGPPARA

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-7348426-B1 Substituted bicyclic heterocycles, process for their preparation and their use as antiobesity and hypocholesterolemic agents DR. REDDY'S LABORATIES LIMITED (IN) 2008-03-25 US disclosed