SCHEMBL9491074

SCHEMBL9491074

COc1ccc2c(C)c(Br)ccc2c1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 1/20 0.39
AKR1A1 P14550 1/20 0.39
AKR1B1 P15121 1/20 0.39
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
NQO2 P16083 2/20 0.34
ERN1 O75460 1/20 0.33
PDE4B Q07343 1/20 0.32
KDM4E B2RXH2 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SOS1 Q07889 1/20 0.31
TSHR P16473 1/20 0.30
NOTUM Q6P988 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
CASR P41180 1/20 0.30
PTGS1 P23219 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
SCHEMBL9491139 0.83 AKR1B10 (0.40) AKR1B10AKR1A1AKR1B1ALDH1A1HPGD
SCHEMBL9488948 0.80 IDO1 (0.41) AKR1B10AKR1A1AKR1B1ALDH1A1HPGD
SCHEMBL9490502 0.80 AKR1B10 (0.39) AKR1B10AKR1A1AKR1B1ALDH1A1HPGD
SCHEMBL9491116 0.80 AKR1B10 (0.39) AKR1B10AKR1A1AKR1B1ALDH1A1HPGD
SCHEMBL31047164 0.79 ALDH1A1 (0.39) ALDH1A1HPGDHSD17B10NQO2ERN1
SCHEMBL16048120 0.79 ALDH1A1 (0.39) ALDH1A1HPGDHSD17B10NQO2ERN1
SCHEMBL9491008 0.78 AKR1B10 (0.41) AKR1B10AKR1A1AKR1B1ALDH1A1HPGD
SCHEMBL9490331 0.77 AKR1B10 (0.46) AKR1B10AKR1A1AKR1B1ALDH1A1HPGD
SCHEMBL9489273 0.77 ALDH1A1 (0.41) AKR1B10AKR1A1AKR1B1ALDH1A1HPGD
SCHEMBL9490610 0.76 AKR1B10 (0.42) AKR1B10AKR1A1AKR1B1ALDH1A1ERN1

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-0322256-A1 N-acyl-N-naphthoylglycines as aldose reductase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1989-06-28 EP disclosed
EP-0322255-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