SCHEMBL9818883

SCHEMBL9818883

CCOC(=O)CC1(O)CC(C)(C)Oc2ccc(Cl)c(Cl)c21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 7/20 0.72
KDM4E B2RXH2 6/20 0.41
GAA P10253 5/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
CASP1 P29466 1/20 0.41
NLRP3 Q96P20 1/20 0.33
USP2 O75604 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
GLA P06280 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALPG P10696 1/20 0.32
CYP2C9 P11712 3/20 0.31
MEN1 O00255 2/20 0.31
CYP1A2 P05177 2/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C19 P33261 2/20 0.31

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
SCHEMBL9818775 0.79 AKR1B1 (0.71) AKR1B1KDM4EGAAALDH1A1HPGD
SCHEMBL10714645 0.78 AKR1B1 (0.73) AKR1B1
SCHEMBL9819088 0.74 AKR1B1 (0.72) AKR1B1KDM4EGAAALDH1A1HPGD
SCHEMBL9818757 0.72 AKR1B1 (0.74) AKR1B1KDM4EGAAALDH1A1HPGD
SCHEMBL10712962 0.67 AKR1B1 (0.73) AKR1B1
SCHEMBL10714740 0.66 AKR1B1 (0.72) AKR1B1L3MBTL1
SCHEMBL11815671 0.64 ALDH1A1 (0.47) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL9391452 0.64 NLRP3 (0.41) AKR1B1GAAALDH1A1NLRP3HTT
SCHEMBL10712210 0.62 AKR1B1 (0.73) AKR1B1L3MBTL1
SCHEMBL10487462 0.62 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