SCHEMBL9491827

SCHEMBL9491827

COC(=O)N(CC(=O)O)C(=O)c1c(OCC(F)(F)F)ccc2c(C(F)(F)F)c(OC)ccc12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 1/20 0.48
AKR1A1 P14550 1/20 0.48
AKR1B1 P15121 1/20 0.48
CYP2C9 P11712 2/20 0.35
CYP1A2 P05177 1/20 0.35
ALDH1A1 P00352 1/20 0.34
S1PR1 P21453 1/20 0.33
KDM4E B2RXH2 1/20 0.32
PTGDR2 Q9Y5Y4 3/20 0.32
TBXA2R P21731 2/20 0.32
PTGDR Q13258 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PDE10A Q9Y233 1/20 0.32
BRAF P15056 1/20 0.32
TNNI3K Q59H18 1/20 0.32
PTGS2 P35354 1/20 0.31
CETP P11597 1/20 0.31
SLC2A1 P11166 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL9491073 0.91 AKR1B10 (0.46) AKR1B10AKR1A1AKR1B1CYP2C9CYP1A2
SCHEMBL9489016 0.88 AKR1B10 (0.50) AKR1B10AKR1A1AKR1B1CYP2C9PTGDR2
SCHEMBL9489025 0.86 AKR1B10 (0.48) AKR1B10AKR1A1AKR1B1CYP2C9PTGDR2
SCHEMBL9489492 0.86 AKR1B10 (0.48) AKR1B10AKR1A1AKR1B1ALDH1A1PTGDR2
SCHEMBL9489337 0.86 AKR1B10 (0.58) AKR1B10AKR1A1AKR1B1CYP2C9CYP1A2
SCHEMBL10416197 0.81 AKR1B10 (0.66) AKR1B10AKR1A1AKR1B1CYP2C9CYP1A2
SCHEMBL9489060 0.81 AKR1B10 (0.46) AKR1B10AKR1A1AKR1B1CYP2C9CYP1A2
SCHEMBL9489533 0.80 AKR1B10 (0.67) AKR1B10AKR1A1AKR1B1CYP2C9CYP1A2
SCHEMBL9489202 0.79 AKR1B10 (0.48) AKR1B10AKR1A1AKR1B1CYP2C9ALDH1A1
SCHEMBL9490893 0.79 AKR1B10 (0.42) AKR1B10AKR1A1AKR1B1CYP2C9CYP1A2

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