SCHEMBL2897998

SCHEMBL2897998

CC(CC(=O)O)c1ccc(OCC(COc2cccc(C(C)(C)C)c2)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.47
FFAR4 Q5NUL3 1/20 0.45
PPARG P37231 2/20 0.41
PPARD Q03181 2/20 0.41
CTSA P10619 1/20 0.40
SOD1 P00441 1/20 0.40
CMKLR1 Q99788 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 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
SCHEMBL10078219 0.90 FFAR1 (0.50) FFAR1FFAR4PPARGPPARDSOD1
SCHEMBL2918902 0.88 FFAR1 (0.52) FFAR1FFAR4PPARGPPARDSOD1
SCHEMBL10077233 0.87 FFAR1 (0.47) FFAR1FFAR4PPARGPPARDSOD1
SCHEMBL10078103 0.86 FFAR1 (0.50) FFAR1FFAR4PPARGPPARDSOD1
SCHEMBL2925885 0.86 FFAR1 (0.53) FFAR1FFAR4PPARGPPARDSOD1
SCHEMBL2882649 0.85 FFAR1 (0.44) FFAR1FFAR4PPARGPPARDSOD1
SCHEMBL224998 0.85 FFAR1 (0.57) FFAR1
SCHEMBL10077727 0.82 FFAR1 (0.54) FFAR1FFAR4PPARG
SCHEMBL2968632 0.82 FFAR1 (0.44) FFAR1FFAR4PPARGPPARDCTSA
SCHEMBL10064534 0.80 FFAR1 (0.43) FFAR1FFAR4PPARGPPARDSOD1

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