SCHEMBL9491641

SCHEMBL9491641

COc1ccc2c(C(=O)N(C)CC(=O)O)c(Br)ccc2c1C(F)(F)F

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 1/20 0.59
AKR1A1 P14550 1/20 0.59
AKR1B1 P15121 1/20 0.59
HTT P42858 1/20 0.39
POLB P06746 2/20 0.34
GYS1 P13807 1/20 0.33
MAPT P10636 4/20 0.33
LMNA P02545 4/20 0.33
CYP2C9 P11712 1/20 0.32
GAA P10253 2/20 0.32
SLC6A9 P48067 1/20 0.31
ALDH1A1 P00352 2/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
RECQL P46063 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PTGDR2 Q9Y5Y4 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
SCHEMBL9489702 0.88 AKR1B10 (0.61) AKR1B10AKR1A1AKR1B1HTTGYS1
SCHEMBL9489280 0.86 AKR1B10 (0.59) AKR1B10AKR1A1AKR1B1GYS1MAPT
SCHEMBL9489025 0.86 AKR1B10 (0.48) AKR1B10AKR1A1AKR1B1HTTPOLB
SCHEMBL9489337 0.85 AKR1B10 (0.58) AKR1B10AKR1A1AKR1B1HTTPOLB
SCHEMBL9489975 0.85 AKR1B10 (0.58) AKR1B10AKR1A1AKR1B1POLBGYS1
SCHEMBL9490871 0.84 AKR1B10 (0.59) AKR1B10AKR1A1AKR1B1GYS1SLC6A9
SCHEMBL9489570 0.84 AKR1B10 (0.59) AKR1B10AKR1A1AKR1B1POLBGYS1
SCHEMBL9490667 0.83 AKR1B10 (0.46) AKR1B10AKR1A1AKR1B1HTTPOLB
SCHEMBL9489106 0.83 AKR1B10 (0.58) AKR1B10AKR1A1AKR1B1GYS1MAPT
SCHEMBL9490331 0.81 AKR1B10 (0.46) AKR1B10AKR1A1AKR1B1HTTLMNA

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