SCHEMBL9818775

SCHEMBL9818775

CCOC(=O)CC1(O)CC(C)(C)Oc2cc(Cl)c(Cl)cc21

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 13/20 0.71
GAA P10253 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALOX12 P18054 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FTO Q9C0B1 1/20 0.32

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
SCHEMBL10487472 0.83 AKR1B1 (1.00) AKR1B1
SCHEMBL9819088 0.81 AKR1B1 (0.72) AKR1B1GAAKDM4EALDH1A1HPGD
SCHEMBL9818883 0.79 AKR1B1 (0.72) AKR1B1GAAKDM4EALDH1A1HPGD
SCHEMBL9818757 0.78 AKR1B1 (0.74) AKR1B1GAAKDM4EALDH1A1HPGD
SCHEMBL9818947 0.77 AKR1B1 (0.72) AKR1B1
SCHEMBL10487586 0.74 AKR1B1 (0.51) AKR1B1
SCHEMBL10712670 0.71 AKR1B1 (0.75) AKR1B1
SCHEMBL1415265 0.70 CNR1 (0.67)
SCHEMBL10487520 0.70 AKR1B1 (0.76) AKR1B1
SCHEMBL10487557 0.70 AKR1B1 (0.73) AKR1B1

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