SCHEMBL9490565

SCHEMBL9490565

COc1ccc2c(C(=O)NC(=O)O)c(Br)ccc2c1C(F)(F)F

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B10 O60218 1/20 0.42
AKR1A1 P14550 1/20 0.42
AKR1B1 P15121 1/20 0.42
NOTUM Q6P988 1/20 0.35
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
SOS1 Q07889 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX12 P18054 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NPC1 O15118 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34

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
SCHEMBL9490510 0.87 AKR1B10 (0.41) AKR1B10AKR1A1AKR1B1MAPTALDH1A1
SCHEMBL9489637 0.87 AKR1B10 (0.43) AKR1B10AKR1A1AKR1B1NOTUMKMT2A
SCHEMBL9490331 0.85 AKR1B10 (0.46) AKR1B10AKR1A1AKR1B1NOTUMALDH1A1
SCHEMBL9491059 0.85 AKR1B10 (0.42) AKR1B10AKR1A1AKR1B1NOTUMMAPT
SCHEMBL9489775 0.83 AKR1B10 (0.43) AKR1B10AKR1A1AKR1B1MAPTALDH1A1
SCHEMBL9490610 0.82 AKR1B10 (0.42) AKR1B10AKR1A1AKR1B1NOTUMMAPT
SCHEMBL10416214 0.79 AKR1B10 (0.58) AKR1B10AKR1A1AKR1B1MAPTALDH1A1
SCHEMBL9491641 0.76 AKR1B10 (0.59) AKR1B10AKR1A1AKR1B1MAPTALDH1A1
SCHEMBL9489025 0.76 AKR1B10 (0.48) AKR1B10AKR1A1AKR1B1NOTUMMAPT
SCHEMBL9491074 0.75 AKR1B10 (0.39) AKR1B10AKR1A1AKR1B1NOTUMALDH1A1

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