SCHEMBL9818968

SCHEMBL9818968

Cc1ccc2c(c1)OC(C)CC2CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 9/20 0.46
PPARD Q03181 8/20 0.46
PPARG P37231 5/20 0.46
AKR1B1 P15121 1/20 0.45
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
BLM P54132 1/20 0.43
KMT2A Q03164 1/20 0.43
CREBBP Q92793 1/20 0.40
PPARA Q07869 1/20 0.38
ALDH2 P05091 1/20 0.37
HSD11B1 P28845 1/20 0.37

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
SCHEMBL9818971 1.00 FFAR1 (0.46) FFAR1PPARDPPARGAKR1B1ALDH1A1
SCHEMBL9818868 0.89 AKR1B1 (0.48) FFAR1PPARDPPARGAKR1B1ALDH1A1
SCHEMBL9818861 0.89 AKR1B1 (0.48) FFAR1PPARDPPARGAKR1B1ALDH1A1
SCHEMBL9818765 0.81 AKR1B1 (0.45) FFAR1PPARDPPARGAKR1B1ALDH1A1
SCHEMBL9818767 0.81 AKR1B1 (0.45) FFAR1PPARDPPARGAKR1B1ALDH1A1
SCHEMBL15299338 0.78 FFAR1 (0.69) FFAR1PPARDPPARGPPARA
SCHEMBL15292428 0.78 FFAR1 (0.69) FFAR1PPARDPPARGPPARA
SCHEMBL14567198 0.76 PPARD (0.53) FFAR1PPARDPPARGPPARA
SCHEMBL9818743 0.75 BRD4 (0.39) FFAR1PPARDPPARGAKR1B1ALDH1A1
SCHEMBL9818788 0.75 AKR1B1 (0.40) FFAR1PPARDPPARGAKR1B1ALDH1A1

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