SCHEMBL21594732

SCHEMBL21594732

CCC[C@H](NC(=O)/C(C#N)=C/c1cccc(Br)n1)c1ccc(OCC(OCC)OCC)cc1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP9X Q93008 11/20 0.72
UCHL1 P09936 1/20 0.72
USP5 P45974 1/20 0.72
STAT3 P40763 1/20 0.52
USP24 Q9UPU5 1/20 0.45
GPR88 Q9GZN0 5/20 0.36
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL21591847 1.00 USP9X (0.72) USP9XUCHL1USP5STAT3USP24
SCHEMBL864194 0.89 USP9X (0.75) USP9XUCHL1USP5STAT3USP24
SCHEMBL864195 0.89 USP9X (0.75) USP9XUCHL1USP5STAT3USP24
SCHEMBL10124900 0.89 USP9X (0.78) USP9XUCHL1USP5STAT3USP24
SCHEMBL859666 0.87 USP9X (0.81) USP9XUCHL1USP5STAT3USP24
SCHEMBL859667 0.87 USP9X (0.81) USP9XUCHL1USP5STAT3USP24
SCHEMBL864393 0.87 USP9X (0.81) USP9XUCHL1USP5STAT3USP24
SCHEMBL863759 0.85 USP9X (0.72) USP9XUCHL1USP5STAT3USP24
SCHEMBL863758 0.85 USP9X (0.72) USP9XUCHL1USP5STAT3USP24
SCHEMBL863498 0.85 USP9X (0.71) USP9XUCHL1USP5STAT3USP24

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
WO-2019238816-A1 BIFUNCTIONAL MOLECULES FOR TARGETING UCHL5 UNIVERSITY OF DUNDEE (GB) 2019-12-19 WO disclosed