SCHEMBL8657232

SCHEMBL8657232

O=C(O)CCCCCCc1nc2c(F)c(F)cc(F)c2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AKR1A1 P14550 2/20 0.51
AKR1B1 P15121 2/20 0.51

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
SCHEMBL8660253 1.00 AKR1A1 (0.51) AKR1A1AKR1B1
SCHEMBL8655720 0.99 AKR1A1 (0.52) AKR1A1AKR1B1
SCHEMBL8655865 0.95 AKR1A1 (0.53) AKR1A1AKR1B1
SCHEMBL8658335 0.89 AKR1A1 (0.55) AKR1A1AKR1B1
SCHEMBL8658160 0.77 AKR1A1 (0.42) AKR1A1AKR1B1
SCHEMBL8858941 0.77 AKR1A1 (0.49) AKR1A1AKR1B1
SCHEMBL8858924 0.76 AKR1A1 (0.53) AKR1A1AKR1B1
SCHEMBL8055751 0.75 AKR1A1 (0.48) AKR1A1AKR1B1
SCHEMBL8858936 0.75 AKR1A1 (0.46) AKR1A1AKR1B1
SCHEMBL8858926 0.75 AKR1A1 (0.50) AKR1A1AKR1B1

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-0714893-B1 2-substituted benzothiazole derivatives useful in the treatment of diabetic complications GRELAN PHARMACEUTICAL CO (JP) 1998-10-21 EP disclosed
US-5700819-A ALDOSE REDUCTASE ENZYME INHIBITOR GRELAN PHARMACEUTICAL CO., LTD. (JP) 1997-12-23 US disclosed
EP-0714893-A1 2-substituted benzothiazole derivatives useful in the treatment of diabetic complications GRELAN PHARMACEUTICAL CO., LTD. (JP) 1996-06-05 EP disclosed