SCHEMBL5259082

SCHEMBL5259082

O=C(O)c1cc(C2CCCC2)cc(N2CCCCS2(O)O)c1F

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.40
KMO O15229 1/20 0.32
STAT3 P40763 9/20 0.32
POLB P06746 1/20 0.31
NOTUM Q6P988 1/20 0.30
DHODH Q02127 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
SCHEMBL5259083 0.88 POLB (0.41) ACMSDKMOSTAT3POLB
SCHEMBL5219458 0.86 OPRK1 (0.34) STAT3
SCHEMBL5219215 0.77 KDM4E (0.31)
SCHEMBL5218910 0.75 MCL1 (0.34) POLBDHODH
SCHEMBL5221190 0.75 CTSD (0.34) POLB
SCHEMBL5219461 0.75 CTSD (0.36) POLB
SCHEMBL5220629 0.74 BACE1 (0.43)
SCHEMBL5222301 0.74 POLB (0.43) ACMSDKMOPOLB
SCHEMBL5223783 0.73 CTSD (0.30)
SCHEMBL5222895 0.71 MCL1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567488-B1 HYDROXYETHYLAMINE DERIVATIVES FOR THE TREATMENT OF ALZHEIMER'S DISEASE GLAXO GROUP LTD (GB) 2007-02-21 EP disclosed