SCHEMBL5183294

SCHEMBL5183294

CC(C)(C)OC(=O)N[C@@H]1CCOc2cc(CO)ccc21

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 13/20 0.42
TRPV1 Q8NER1 4/20 0.41
HSD17B2 P37059 1/20 0.40

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
SCHEMBL5183286 1.00 BDKRB1 (0.42) BDKRB1TRPV1HSD17B2
SCHEMBL29920592 0.84 TRPV1 (0.48) TRPV1HSD17B2
SCHEMBL20053921 0.84 HSD17B2 (0.41) TRPV1HSD17B2
SCHEMBL16814170 0.84 AAK1 (0.41) TRPV1HSD17B2
SCHEMBL5505139 0.83 BDKRB1 (0.44) BDKRB1TRPV1HSD17B2
SCHEMBL12731042 0.82 CTSD (0.45) TRPV1
SCHEMBL31040889 0.82 TRPV1 (0.53) BDKRB1TRPV1HSD17B2
SCHEMBL7986840 0.82 BRD4 (0.48) TRPV1
SCHEMBL29264385 0.82 BRD4 (0.48) TRPV1
SCHEMBL24838463 0.81 HSD17B2 (0.39) BDKRB1TRPV1HSD17B2

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
EP-1799637-A1 SUBSTITUTED SULFONAMIDOPROPIONAMIDES AND METHODS OF USE Amgen, Inc (US) 2007-06-27 EP disclosed
WO-2006036664-A1 SUBSTITUTED SULFONAMIDOPROPIONAMIDES AND METHODS OF USE AMGEN INC. (US) 2006-04-06 WO disclosed