SCHEMBL9733540

SCHEMBL9733540

O=C1NC(=O)[C@@]2(C[C@@H](C(=O)NO)Oc3ccc(F)cc32)N1

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 10/20 0.78
AKR1A1 P14550 3/20 0.78
AKR1B10 O60218 2/20 0.78
MAPT P10636 1/20 0.54

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
SCHEMBL9411773 0.90 AKR1B1 (0.80) AKR1B1AKR1A1AKR1B10MAPT
SCHEMBL9824267 0.90 AKR1B1 (0.76) AKR1B1AKR1A1AKR1B10MAPT
SCHEMBL9411779 0.90 AKR1B1 (0.80) AKR1B1AKR1A1AKR1B10MAPT
SCHEMBL9411776 0.90 AKR1B1 (0.80) AKR1B1AKR1A1AKR1B10MAPT
SCHEMBL9411792 0.90 AKR1B1 (0.80) AKR1B1AKR1A1AKR1B10MAPT
SCHEMBL9411789 0.88 AKR1B1 (0.73) AKR1B1AKR1A1AKR1B10MAPT
SCHEMBL8311471 0.87 AKR1B1 (0.83) AKR1B1AKR1A1AKR1B10MAPT
SCHEMBL9250816 0.87 AKR1B1 (0.83) AKR1B1AKR1A1AKR1B10MAPT
(R,S)-Fidarestat SCHEMBL2855039 0.87 AKR1B1 (1.00) AKR1B1AKR1A1AKR1B10MAPT
Fidarestat SCHEMBL48827 0.87 AKR1B1 (1.00) AKR1B1AKR1A1AKR1B10MAPT

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-0418834-A1 Hydantoin derivatives for treating complications of diabetes and circulatory diseases SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1991-03-27 EP claimed
US-5164391-A Treatment of diabetes and circulatory disorders, aldose reductase inhibitor SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1992-11-17 US disclosed
EP-0418834-A1 Hydantoin derivatives for treating complications of diabetes and circulatory diseases SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 1991-03-27 EP disclosed