SCHEMBL2975819

SCHEMBL2975819

Cc1cc(OCC2(COc3ccc(C(C)CC(=O)O)cc3)CC2)ccc1F

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 10/20 0.46
FFAR4 Q5NUL3 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
PPARD Q03181 2/20 0.39
CMKLR1 Q99788 7/20 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
SCHEMBL2966453 0.88 FFAR1 (0.50) FFAR1FFAR4ALDH1A1TSHRCMKLR1
SCHEMBL3012667 0.86 FFAR1 (0.48) FFAR1FFAR4ALDH1A1TSHR
SCHEMBL2947118 0.84 FFAR1 (0.48) FFAR1FFAR4ALDH1A1TSHR
SCHEMBL232611 0.84 FFAR1 (0.53) FFAR1
SCHEMBL2950187 0.84 PPARD (0.48) FFAR1FFAR4ALDH1A1TSHRPPARD
SCHEMBL2946459 0.83 FFAR1 (0.54) FFAR1FFAR4ALDH1A1TSHRCMKLR1
SCHEMBL2965353 0.83 FFAR1 (0.49) FFAR1FFAR4ALDH1A1TSHRPPARD
SCHEMBL2970621 0.82 FFAR1 (0.53) FFAR1FFAR4ALDH1A1TSHRPPARD
SCHEMBL2975821 0.82 FFAR1 (0.46) FFAR1FFAR4ALDH1A1TSHRCMKLR1
SCHEMBL3036279 0.81 FFAR1 (0.49) FFAR1FFAR4ALDH1A1TSHRPPARD

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
WO-2012004270-A1 SPIROCYCLICALLY SUBSTITUTED 1,3-PROPANE DIOXIDE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF AND USE OF THE SAME AS MEDICAMENT SANOFI (FR) 2012-01-12 WO disclosed