SCHEMBL3413664

SCHEMBL3413664

CCC1Cc2ccc(OC)cc2C1CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.44
MTNR1B P49286 7/20 0.44
NQO2 P16083 4/20 0.44
FFAR4 Q5NUL3 1/20 0.42
ATM Q13315 1/20 0.42
PPARD Q03181 2/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41

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
SCHEMBL3409346 0.83 OPRM1 (0.46) MTNR1AMTNR1BNQO2
SCHEMBL24650762 0.83 MTNR1A (0.45) MTNR1AMTNR1BNQO2FFAR4ATM
SCHEMBL9467265 0.79 MTNR1A (0.52) MTNR1AMTNR1BNQO2PPARD
SCHEMBL4261860 0.78 MTNR1A (0.62) MTNR1AMTNR1BNQO2
SCHEMBL3407256 0.76 OPRM1 (0.42) MTNR1AMTNR1BNQO2
SCHEMBL20109885 0.76 OPRM1 (0.48)
SCHEMBL3843777 0.75 OPRM1 (0.48)
SCHEMBL3843779 0.75 OPRM1 (0.48)
SCHEMBL1520733 0.74 SIRT1 (0.45) MTNR1AMTNR1BNQO2
SCHEMBL24651103 0.73 MTNR1A (0.46) MTNR1AMTNR1BNQO2PTGDR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2260017-A1 CONFORMATIONALLY CONSTRAINED CARBOXYLIC ACID DERIVATIVES USEFUL FOR TREATING METABOLIC DISORDERS Amgen, Inc (US) 2010-12-15 EP disclosed
WO-2009111056-A1 CONFORMATIONALLY CONSTRAINED CARBOXYLIC ACID DERIVATIVES USEFUL FOR TREATING METABOLIC DISORDERS AMGEN INC. (US) 2009-09-11 WO disclosed