SCHEMBL9818767

SCHEMBL9818767

C[C@@H]1CC(CC(=O)O)c2ccccc2O1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.45
POLB P06746 1/20 0.42
PPARG P37231 6/20 0.40
PPARD Q03181 6/20 0.40
FFAR1 O14842 4/20 0.38
ABCB1 P08183 2/20 0.38
PPARA Q07869 1/20 0.38
HTT P42858 2/20 0.37
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
BLM P54132 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL9818765 1.00 AKR1B1 (0.45) AKR1B1POLBPPARGPPARDFFAR1
SCHEMBL9819001 0.84 LMNA (0.39) AKR1B1PPARGPPARDFFAR1PPARA
SCHEMBL9818998 0.84 LMNA (0.39) AKR1B1PPARGPPARDFFAR1PPARA
SCHEMBL9819039 0.82 HTT (0.40) AKR1B1POLBPPARGPPARDFFAR1
SCHEMBL9819041 0.82 HTT (0.40) AKR1B1POLBPPARGPPARDFFAR1
SCHEMBL7057869 0.82 PPARG (0.40) PPARGPPARDFFAR1ABCB1PPARA
SCHEMBL9818968 0.81 FFAR1 (0.46) AKR1B1PPARGPPARDFFAR1PPARA
SCHEMBL9818861 0.81 AKR1B1 (0.48) AKR1B1PPARGPPARDFFAR1HTT
SCHEMBL9818800 0.81 PPARG (0.38) AKR1B1PPARGPPARDFFAR1PPARA
SCHEMBL9818919 0.81 PPARG (0.38) AKR1B1PPARGPPARDFFAR1PPARA

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