SCHEMBL9490571

SCHEMBL9490571

COc1ccc2c(CO)c(Cl)ccc2c1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 1/20 0.41
AKR1A1 P14550 1/20 0.41
AKR1B1 P15121 1/20 0.41
RORC P51449 1/20 0.38
CYP2C9 P11712 2/20 0.35
NR3C1 P04150 2/20 0.34
NR3C2 P08235 2/20 0.34
MAPT P10636 4/20 0.34
PDE4B Q07343 3/20 0.34
LMNA P02545 2/20 0.33
PDE5A O76074 2/20 0.33
PDE4A P27815 2/20 0.32
PDE4C Q08493 2/20 0.32
PDE4D Q08499 2/20 0.32
PDE11A Q9HCR9 1/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
NOTUM Q6P988 1/20 0.32
PDE1A P54750 1/20 0.32

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
SCHEMBL9490629 0.85 AKR1B10 (0.41) AKR1B10AKR1A1AKR1B1RORCCYP2C9
SCHEMBL9489296 0.85 AKR1B10 (0.43) AKR1B10AKR1A1AKR1B1CYP2C9PDE4B
SCHEMBL9491008 0.82 AKR1B10 (0.41) AKR1B10AKR1A1AKR1B1CYP2C9MAPT
SCHEMBL9490502 0.78 AKR1B10 (0.39) AKR1B10AKR1A1AKR1B1RORCCYP2C9
SCHEMBL9489560 0.75 ALDH1A1 (0.47) AKR1B10AKR1A1AKR1B1CYP2C9MAPT
SCHEMBL9489502 0.73 AKR1B10 (0.40) AKR1B10AKR1A1AKR1B1CYP2C9CYP3A4
SCHEMBL320556 0.72 RORC (0.39) RORCCYP2C9MAPTPDE4BLMNA
SCHEMBL9491116 0.72 AKR1B10 (0.39) AKR1B10AKR1A1AKR1B1
SCHEMBL12805454 0.71 HTR2A (0.42) CYP2C9NR3C1NR3C2MAPTLMNA
SCHEMBL10586694 0.71 AKR1B10 (0.40) AKR1B10AKR1A1AKR1B1CYP2C9MAPT

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 7 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
EP-0322255-B1 N-ACYL-N-NAPHTHOYLGLYCINES AS ALDOSE REDUCTASE INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1993-03-24 EP disclosed
US-4962224-A TREATMENT OR PREVENTION OF DIABETES AMERICAN HOME PRODUCTS CORPORATION (US) 1990-10-09 US disclosed
WO-1989005793-A1 N-ACYL-N-NAPHTHOYLGLYCINES AS ALDOSE REDUCTASE INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1989-06-29 WO disclosed
EP-0322255-A1 N-acyl-N-naphthoylglycines as aldose reductase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1989-06-28 EP 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