SCHEMBL9491073

SCHEMBL9491073

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

nearest known ligand 0.66

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
PDE10A Q9Y233 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HCRTR1 O43613 2/20 0.31
HCRTR2 O43614 2/20 0.31
DPP4 P27487 1/20 0.31
PDE6D O43924 1/20 0.31
PDE5A O76074 1/20 0.31
PDE6A P16499 1/20 0.31
PDE6G P18545 1/20 0.31
PDE6B P35913 1/20 0.31
PDE6C P51160 1/20 0.31
PDE6H Q13956 1/20 0.31
CDC25B P30305 1/20 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
SCHEMBL9491827 0.91 AKR1B10 (0.48) AKR1B10AKR1A1AKR1B1PDE10ACYP1A2
SCHEMBL9489202 0.89 AKR1B10 (0.48) AKR1B10AKR1A1AKR1B1CYP2C9DPP4
SCHEMBL9490667 0.87 AKR1B10 (0.46) AKR1B10AKR1A1AKR1B1SMN1; SMN2CDC25B
SCHEMBL9489172 0.87 AKR1B10 (0.46) AKR1B10AKR1A1AKR1B1CYP2C9HCRTR1
SCHEMBL9489337 0.83 AKR1B10 (0.58) AKR1B10AKR1A1AKR1B1CYP1A2CYP2C9
SCHEMBL10415834 0.82 AKR1B10 (0.62) AKR1B10AKR1A1AKR1B1CYP1A2CYP2C9
SCHEMBL7600139 0.80 AKR1B10 (0.42) AKR1B10AKR1A1AKR1B1CDC25B
SCHEMBL9489016 0.79 AKR1B10 (0.50) AKR1B10AKR1A1AKR1B1CYP2C9RAB9A
SCHEMBL9489975 0.79 AKR1B10 (0.58) AKR1B10AKR1A1AKR1B1CYP1A2CYP2C9
SCHEMBL9489060 0.78 AKR1B10 (0.46) AKR1B10AKR1A1AKR1B1CYP1A2CYP2C9

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