SCHEMBL9490871

SCHEMBL9490871

CCCOc1ccc2c(C(F)(F)F)c(OC)ccc2c1C(=O)N(C)CC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 1/20 0.59
AKR1A1 P14550 1/20 0.59
AKR1B1 P15121 1/20 0.59
KDM4E B2RXH2 1/20 0.36
SLC6A9 P48067 5/20 0.36
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
SGMS2 Q8NHU3 1/20 0.34
MCHR1 Q99705 1/20 0.34
VDR P11473 1/20 0.34
GYS1 P13807 1/20 0.33
PDE4D Q08499 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
PPARG P37231 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
CYP1A1 P04798 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
SCHEMBL9489106 0.95 AKR1B10 (0.58) AKR1B10AKR1A1AKR1B1SLC6A9KEAP1
SCHEMBL9489975 0.91 AKR1B10 (0.58) AKR1B10AKR1A1AKR1B1SLC6A9KEAP1
SCHEMBL9489337 0.89 AKR1B10 (0.58) AKR1B10AKR1A1AKR1B1KDM4ESLC6A9
SCHEMBL9489702 0.85 AKR1B10 (0.61) AKR1B10AKR1A1AKR1B1SLC6A9GYS1
SCHEMBL9489264 0.84 AKR1B10 (0.47) AKR1B10AKR1A1AKR1B1KDM4EPDE4D
SCHEMBL9491641 0.84 AKR1B10 (0.59) AKR1B10AKR1A1AKR1B1SLC6A9GYS1
SCHEMBL9489280 0.84 AKR1B10 (0.59) AKR1B10AKR1A1AKR1B1KDM4ESLC6A9
SCHEMBL9489570 0.83 AKR1B10 (0.59) AKR1B10AKR1A1AKR1B1KDM4EKEAP1
SCHEMBL9489565 0.81 AKR1B10 (0.67) AKR1B10AKR1A1AKR1B1KDM4ESLC6A9
SCHEMBL10388876 0.80 AKR1B10 (0.51) AKR1B10AKR1A1AKR1B1KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0322255-A1 N-acyl-N-naphthoylglycines as aldose reductase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1989-06-28 EP disclosed