SCHEMBL14265693

SCHEMBL14265693

CCOC(=O)/C(=C\c1ccc(OCCN2CCOc3ccccc32)cc1)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
LMNA P02545 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
TSHR P16473 2/20 0.42
NR1H4 Q96RI1 1/20 0.41
KMT2A Q03164 2/20 0.40
POLB P06746 2/20 0.39
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
TP53 P04637 1/20 0.38
HTR1A P08908 1/20 0.37
SLC6A4 P31645 1/20 0.37
THRB P10828 1/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
NOTUM Q6P988 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL14265709 0.94 MAPT (0.43) MAPTLMNARXFP1TSHRNR1H4
SCHEMBL5107495 0.93 MAPT (0.46) MAPTLMNARXFP1TSHRNR1H4
SCHEMBL5140361 0.93 MAPT (0.46) MAPTLMNARXFP1TSHRNR1H4
SCHEMBL5107504 0.93 MAPT (0.46) MAPTLMNARXFP1TSHRNR1H4
SCHEMBL5107687 0.83 KMT2A (0.42) MAPTLMNARXFP1TSHRKMT2A
SCHEMBL5113624 0.83 KMT2A (0.42) MAPTLMNARXFP1TSHRKMT2A
SCHEMBL5107694 0.83 KMT2A (0.42) MAPTLMNARXFP1TSHRKMT2A
SCHEMBL14265701 0.82 MEN1 (0.52) MAPTTSHRKMT2APOLBPPARG
SCHEMBL7249198 0.81 PPARA (0.55) MAPTRXFP1NR1H4KMT2APOLB
SCHEMBL7251593 0.81 PPARA (0.55) MAPTRXFP1NR1H4KMT2APOLB

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