SCHEMBL9007599

SCHEMBL9007599

O=C1CCCC(OS(=O)(=O)C(F)(F)F)=C1Cc1ccc2c(Br)cccc2c1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.30
HPD P32754 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
SCHEMBL9007551 0.79 WDR5 (0.35) NQO1HPD
SCHEMBL9007494 0.76 NQO1 (0.39) NQO1HPD
SCHEMBL9007517 0.75 AKR1B1 (0.41) NQO1HPD
SCHEMBL9007576 0.67 MEN1 (0.32) NQO1
SCHEMBL9007515 0.67 KMT2A (0.39) HPD
SCHEMBL25060822 0.65 CA1 (0.43)
SCHEMBL17314725 0.64 PTGS2 (0.38)
SCHEMBL31248919 0.63 PDE4A (0.44)
SCHEMBL1396980 0.63 PDE4A (0.44)
SCHEMBL4652404 0.63 DRD2 (0.43)

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5482968-A ENZYME INHIBITORS, HYPOGLYCEMIC AGENTS AND VASCULAR AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-01-09 US disclosed
US-5399588-A Diabetes treatment AMERICAN HOME PRODUCTS CORPORATION (US) 1995-03-21 US disclosed