SCHEMBL9819009

SCHEMBL9819009

COc1cc2c(cc1Cl)C(=O)CC(C)O2

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.50
AKR1B1 P15121 1/20 0.46
ALDH1A1 P00352 4/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 3/20 0.42
CYP19A1 P11511 4/20 0.42
HTT P42858 1/20 0.41
KDM4E B2RXH2 2/20 0.40
KLK7 P49862 1/20 0.40
PPARG P37231 2/20 0.39
MEN1 O00255 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PTPN1 P18031 1/20 0.39
CYP3A4 P08684 1/20 0.39
MAOB P27338 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
SCHEMBL23788617 0.89 PBRM1 (0.54) PBRM1ALDH1A1GAASMN1; SMN2HPGD
SCHEMBL9818879 0.84 PBRM1 (0.58) PBRM1AKR1B1ALDH1A1GAASMN1; SMN2
SCHEMBL9819094 0.84 PBRM1 (0.58) PBRM1AKR1B1ALDH1A1GAASMN1; SMN2
SCHEMBL23778122 0.81 HTT (0.39) AKR1B1HPGDCYP19A1HTTPPARG
SCHEMBL10713025 0.81 PBRM1 (0.55) PBRM1AKR1B1ALDH1A1GAASMN1; SMN2
SCHEMBL23188416 0.81 ACHE (0.52) PBRM1ALDH1A1GAASMN1; SMN2HPGD
Lithium Ion SCHEMBL10713022 0.80 PBRM1 (0.54) PBRM1AKR1B1ALDH1A1GAASMN1; SMN2
SCHEMBL9819184 0.78 PBRM1 (0.53) PBRM1ALDH1A1GAACYP19A1KDM4E
SCHEMBL9818930 0.78 PBRM1 (0.53) PBRM1AKR1B1ALDH1A1GAAKDM4E
SCHEMBL9819284 0.78 PBRM1 (0.60) PBRM1AKR1B1ALDH1A1GAASMN1; SMN2

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 4 patents. 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
US-4853410-A Hydroxyacetic acid derivatives for the treatment of diabetic complications PFIZER INC. (US) 1989-08-01 US disclosed
WO-1987004344-A1 HYDROXYACETIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETIC COMPLICATIONS PFIZER INC. (US) 1987-07-30 WO disclosed
EP-0230379-A2 Chroman- and thiochroman-4-acetic acids useful in the treatment of diabetic complications PFIZER INC. (US) 1987-07-29 EP disclosed