SCHEMBL9819088

SCHEMBL9819088

CCOC(=O)CC1(O)CC(C)(C)Oc2ccc(F)cc21

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 16/20 0.72
GAA P10253 2/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL9819179 0.84 AKR1B1 (1.00) AKR1B1
SCHEMBL9818757 0.83 AKR1B1 (0.74) AKR1B1GAAKDM4EALDH1A1HPGD
SCHEMBL9818775 0.81 AKR1B1 (0.71) AKR1B1GAAKDM4EALDH1A1HPGD
SCHEMBL7565519 0.81 AKR1B1 (0.45) AKR1B1GAAMEN1LMNACYP1A2
SCHEMBL10487446 0.78 AKR1B1 (0.73) AKR1B1
SCHEMBL10713363 0.77 AKR1B1 (0.76) AKR1B1
SCHEMBL10487485 0.76 AKR1B1 (0.77) AKR1B1
SCHEMBL10487406 0.76 AKR1B1 (0.74) AKR1B1
SCHEMBL10487487 0.76 AKR1B1 (0.74) AKR1B1
SCHEMBL9818883 0.74 AKR1B1 (0.72) AKR1B1GAAKDM4EALDH1A1HPGD

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