SCHEMBL10285371

SCHEMBL10285371

CCCC1(CCC)C=C(COc2ccc(C(CC(=O)O)OCC)cc2)CCC1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 20/20 0.54
PPARG P37231 1/20 0.51

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
SCHEMBL13084111 0.85 FFAR1 (0.57) FFAR1PPARG
SCHEMBL3398112 0.85 FFAR1 (0.57) FFAR1PPARG
SCHEMBL3399199 0.84 FFAR1 (0.56) FFAR1PPARG
SCHEMBL13563912 0.78 FFAR1 (0.48) FFAR1PPARG
SCHEMBL13504392 0.77 FFAR1 (0.48) FFAR1PPARG
SCHEMBL3399204 0.77 FFAR1 (0.47) FFAR1PPARG
SCHEMBL15426929 0.76 FFAR1 (0.46) FFAR1PPARG
Lysine SCHEMBL3399664 0.75 FFAR1 (0.46) FFAR1PPARG
SCHEMBL13563902 0.73 FFAR1 (0.55) FFAR1PPARG
SCHEMBL13564577 0.72 FFAR1 (0.55) FFAR1PPARG

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-2202216-B1 SPIRO-RING COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES JAPAN TOBACCO INC (JP) 2012-06-27 EP disclosed