SCHEMBL2882649

SCHEMBL2882649

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

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.44
FFAR4 Q5NUL3 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
GPR88 Q9GZN0 4/20 0.40
PPARG P37231 3/20 0.40
PPARD Q03181 2/20 0.40
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
PPARA Q07869 1/20 0.39
SOD1 P00441 1/20 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
SCHEMBL10077233 0.92 FFAR1 (0.47) FFAR1FFAR4ALDH1A1TSHRPPARG
SCHEMBL10078219 0.88 FFAR1 (0.50) FFAR1FFAR4ALDH1A1TSHRPPARG
SCHEMBL2918902 0.86 FFAR1 (0.52) FFAR1FFAR4ALDH1A1TSHRPPARG
SCHEMBL224841 0.85 FFAR1 (0.56) FFAR1
SCHEMBL2897998 0.85 FFAR1 (0.47) FFAR1FFAR4ALDH1A1TSHRPPARG
SCHEMBL2925885 0.85 FFAR1 (0.53) FFAR1FFAR4ALDH1A1PPARGPPARD
SCHEMBL10078103 0.85 FFAR1 (0.50) FFAR1FFAR4ALDH1A1PPARGPPARD
SCHEMBL10077238 0.81 FFAR1 (0.51) FFAR1FFAR4ALDH1A1TSHRPPARG
SCHEMBL2968632 0.80 FFAR1 (0.44) FFAR1FFAR4ALDH1A1TSHRPPARG
SCHEMBL10077725 0.80 FFAR1 (0.45) FFAR1FFAR4ALDH1A1PPARGPPARD

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