SCHEMBL2950187

SCHEMBL2950187

Cc1cc(F)ccc1OCC1(COc2ccc(C(C)CC(=O)O)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.48
FFAR1 O14842 10/20 0.44
FFAR4 Q5NUL3 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
USP19 O94966 1/20 0.36
CTSA P10619 1/20 0.36
CXCR3 P49682 2/20 0.36
POLB P06746 1/20 0.36
CMKLR1 Q99788 1/20 0.35

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
SCHEMBL3036390 0.89 FFAR1 (0.53) PPARDFFAR1FFAR4CMKLR1
SCHEMBL3012667 0.88 FFAR1 (0.48) FFAR1FFAR4ALDH1A1TSHRUSP19
SCHEMBL3036279 0.87 FFAR1 (0.49) PPARDFFAR1FFAR4ALDH1A1TSHR
SCHEMBL231013 0.85 FFAR1 (0.55) FFAR1
SCHEMBL2975819 0.84 FFAR1 (0.46) PPARDFFAR1FFAR4ALDH1A1TSHR
SCHEMBL2975821 0.84 FFAR1 (0.46) FFAR1FFAR4ALDH1A1TSHRUSP19
SCHEMBL2947118 0.84 FFAR1 (0.48) FFAR1FFAR4ALDH1A1TSHR
SCHEMBL2946459 0.81 FFAR1 (0.54) FFAR1FFAR4ALDH1A1TSHRPOLB
SCHEMBL2966453 0.79 FFAR1 (0.50) FFAR1FFAR4ALDH1A1TSHRCMKLR1
SCHEMBL2965353 0.78 FFAR1 (0.49) PPARDFFAR1FFAR4ALDH1A1TSHR

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