SCHEMBL9489172

SCHEMBL9489172

CCOC(=O)N(CC(=O)O)C(=O)c1c(Cl)ccc2c(C(F)(F)F)c(OC)ccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 1/20 0.46
AKR1A1 P14550 1/20 0.46
AKR1B1 P15121 1/20 0.46
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
PDE5A O76074 2/20 0.35
PDE6D O43924 1/20 0.35
PDE6A P16499 1/20 0.35
PDE6G P18545 1/20 0.35
PDE6B P35913 1/20 0.35
PDE6C P51160 1/20 0.35
PDE6H Q13956 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
PTGDR2 Q9Y5Y4 4/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
TBXA2R P21731 1/20 0.33
PTGIR P43119 1/20 0.33
PTGDR Q13258 1/20 0.33

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
SCHEMBL9489492 0.91 AKR1B10 (0.48) AKR1B10AKR1A1AKR1B1TSHRALDH1A1
SCHEMBL9489202 0.90 AKR1B10 (0.48) AKR1B10AKR1A1AKR1B1ALDH1A1PDE5A
SCHEMBL9490667 0.88 AKR1B10 (0.46) AKR1B10AKR1A1AKR1B1TSHRALDH1A1
SCHEMBL9491073 0.87 AKR1B10 (0.46) AKR1B10AKR1A1AKR1B1ALDH1A1PDE5A
SCHEMBL9489280 0.83 AKR1B10 (0.59) AKR1B10AKR1A1AKR1B1TSHRALDH1A1
SCHEMBL10415834 0.83 AKR1B10 (0.62) AKR1B10AKR1A1AKR1B1CYP3A4CYP2C9
SCHEMBL9489016 0.80 AKR1B10 (0.50) AKR1B10AKR1A1AKR1B1PTGDR2CYP2C9
SCHEMBL7600139 0.79 AKR1B10 (0.42) AKR1B10AKR1A1AKR1B1TSHRMAPT
SCHEMBL9489025 0.78 AKR1B10 (0.48) AKR1B10AKR1A1AKR1B1PTGDR2CYP2C9
SCHEMBL9491827 0.78 AKR1B10 (0.48) AKR1B10AKR1A1AKR1B1ALDH1A1PTGDR2

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-0322256-B1 N-ACYL-N-NAPHTHOYLGLYCINES AS ALDOSE REDUCTASE INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1993-03-24 EP disclosed
WO-1989005793-A1 N-ACYL-N-NAPHTHOYLGLYCINES AS ALDOSE REDUCTASE INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1989-06-29 WO disclosed
EP-0322256-A1 N-acyl-N-naphthoylglycines as aldose reductase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1989-06-28 EP disclosed
US-4820727-A TREATING DIABETIC COMPLICATIONS-VISION DEFECTS, KIDNEY AND NERVOUS SYSTEM DISORDERS AMERICAN HOME PRODUCTS CORPORATION (US) 1989-04-11 US disclosed