SCHEMBL9819041

SCHEMBL9819041

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

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
PPARG P37231 6/20 0.39
PPARD Q03181 6/20 0.39
THRB P10828 2/20 0.37
TP53 P04637 1/20 0.37
FFAR1 O14842 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PPARA Q07869 1/20 0.36
MAPT P10636 1/20 0.36
USP2 O75604 1/20 0.36
MTNR1A P48039 1/20 0.36
POLB P06746 1/20 0.36
AKR1B1 P15121 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
SCHEMBL9819039 1.00 HTT (0.40) HTTALDH1A1HPGDPPARGPPARD
SCHEMBL9818762 0.89 HTT (0.42) HTTALDH1A1HPGDPPARGPPARD
SCHEMBL9818756 0.89 HTT (0.42) HTTALDH1A1HPGDPPARGPPARD
SCHEMBL8820474 0.87 ALOX5 (0.37) HTTALDH1A1HPGDTHRBTP53
SCHEMBL9819044 0.84 LTB4R (0.43) HTTALDH1A1HPGDPPARGPPARD
SCHEMBL9819040 0.84 LTB4R (0.43) HTTALDH1A1HPGDPPARGPPARD
SCHEMBL9818765 0.82 AKR1B1 (0.45) HTTALDH1A1PPARGPPARDTP53
SCHEMBL9818767 0.82 AKR1B1 (0.45) HTTALDH1A1PPARGPPARDTP53
SCHEMBL9818872 0.82 ABCB1 (0.46) HTTHPGDMTNR1APOLBAKR1B1
SCHEMBL9818878 0.82 ABCB1 (0.46) HTTHPGDMTNR1APOLBAKR1B1

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