SCHEMBL25611109

SCHEMBL25611109

CC(C)Oc1cc(-c2cnc(NC(=O)C3COCCO3)s2)ccc1C#N

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 6/20 0.47
▸ XDH P47989 4/20 0.40
▸ S1PR1 P21453 2/20 0.40
▸ S1PR5 Q9H228 2/20 0.40
▸ UCHL1 P09936 2/20 0.37
▸ HSD17B1 P14061 1/20 0.37
▸ HSD17B2 P37059 1/20 0.37
▸ ABL1 P00519 1/20 0.36
▸ EGLN2 Q96KS0 1/20 0.36

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
SCHEMBL25611309 0.90 USP30 (0.49) USP30XDHEGLN2
SCHEMBL25611033 0.89 USP30 (0.48) USP30XDHS1PR1S1PR5UCHL1
SCHEMBL25610970 0.85 USP30 (0.45) USP30XDHS1PR1S1PR5UCHL1
SCHEMBL25610969 0.85 USP30 (0.45) USP30XDHS1PR1S1PR5UCHL1
SCHEMBL25611032 0.84 USP30 (0.43) USP30XDHS1PR1S1PR5UCHL1
SCHEMBL25613444 0.82 XDH (0.43) USP30XDHS1PR1S1PR5UCHL1
SCHEMBL25611227 0.81 UCHL1 (0.41) USP30XDHS1PR1S1PR5UCHL1
SCHEMBL25611030 0.81 XDH (0.38) USP30XDHS1PR1S1PR5UCHL1
SCHEMBL25610836 0.80 ALDH1A1 (0.48) USP30
SCHEMBL25605336 0.79 MKNK1 (0.59) USP30XDHS1PR1S1PR5UCHL1

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-2023107714-A2 METHODS FOR TREATING NEUROLOGICAL DISORDERS PROTHENA BIOSCIENCES LIMITED (IE) 2023-06-15 — — WO disclosed
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