SCHEMBL9818800

SCHEMBL9818800

CC(C)(C)C1CC(CC(=O)O)c2ccccc2O1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.38
PPARD Q03181 8/20 0.38
FFAR1 O14842 6/20 0.38
AKR1B1 P15121 2/20 0.37
PPARA Q07869 1/20 0.36
PKM P14618 1/20 0.35
TP53 P04637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
GRM2 Q14416 1/20 0.34
GRM3 Q14832 1/20 0.34

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
SCHEMBL9818919 1.00 PPARG (0.38) PPARGPPARDFFAR1AKR1B1PPARA
SCHEMBL9818815 0.86 PPARG (0.38) PPARGPPARDFFAR1PPARATP53
SCHEMBL9818811 0.86 PPARG (0.38) PPARGPPARDFFAR1PPARATP53
SCHEMBL9818765 0.81 AKR1B1 (0.45) PPARGPPARDFFAR1AKR1B1PPARA
SCHEMBL9818767 0.81 AKR1B1 (0.45) PPARGPPARDFFAR1AKR1B1PPARA
SCHEMBL9818762 0.80 HTT (0.42) PPARGPPARDFFAR1AKR1B1PPARA
SCHEMBL9818756 0.80 HTT (0.42) PPARGPPARDFFAR1AKR1B1PPARA
SCHEMBL9819039 0.79 HTT (0.40) PPARGPPARDFFAR1AKR1B1PPARA
SCHEMBL9819041 0.79 HTT (0.40) PPARGPPARDFFAR1AKR1B1PPARA
SCHEMBL7057869 0.78 PPARG (0.40) PPARGPPARDFFAR1PPARATP53

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
EP-0230379-B1 CHROMAN- AND THIOCHROMAN-4-ACETIC ACIDS USEFUL IN THE TREATMENT OF DIABETIC COMPLICATIONS PFIZER INC. (US) 1991-04-03 EP disclosed