SCHEMBL10077233

SCHEMBL10077233

CCC(COc1ccc(C(C)CC(=O)O)cc1)COc1cccc(C(C)(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 12/20 0.47
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
FFAR4 Q5NUL3 1/20 0.43
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
SOD1 P00441 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL2882649 0.92 FFAR1 (0.44) FFAR1ALDH1A1TSHRFFAR4PPARG
SCHEMBL10078219 0.90 FFAR1 (0.50) FFAR1ALDH1A1TSHRFFAR4PPARG
SCHEMBL2918902 0.88 FFAR1 (0.52) FFAR1ALDH1A1TSHRFFAR4PPARG
SCHEMBL2897998 0.87 FFAR1 (0.47) FFAR1ALDH1A1TSHRFFAR4PPARG
SCHEMBL10078103 0.86 FFAR1 (0.50) FFAR1ALDH1A1FFAR4PPARGPPARD
SCHEMBL2925885 0.86 FFAR1 (0.53) FFAR1ALDH1A1FFAR4PPARGPPARD
SCHEMBL223214 0.85 FFAR1 (0.57) FFAR1
SCHEMBL2968632 0.82 FFAR1 (0.44) FFAR1ALDH1A1TSHRFFAR4PPARG
SCHEMBL10076908 0.81 FFAR1 (0.53) FFAR1ALDH1A1TSHRFFAR4PPARG
SCHEMBL10064534 0.80 FFAR1 (0.43) FFAR1ALDH1A1TSHRFFAR4PPARG

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-2012010413-A1 ARYLOXY-ALKYLENE SUBSTITUTED HYDROXYPHENYL HEXYNOIC ACIDS, METHODS FOR THE PRODUCTION THEREOF AND USE OF THE SAME AS MEDICAMENT SANOFI (FR) 2012-01-26 WO disclosed