SCHEMBL19831980

SCHEMBL19831980

C=C(/C(C#N)=C\C)C(C)CN(C)C(=O)OC(C)(C)C

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.31
CTSD P07339 1/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSS P25774 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
SCHEMBL19831981 0.84
SCHEMBL16547232 0.77 CA1 (0.34)
SCHEMBL13490197 0.74 HDAC6 (0.36) CTSLCTSBCTSS
SCHEMBL17898137 0.73 MEN1 (0.34) CTSS
SCHEMBL10473405 0.73 MEN1 (0.34) CTSS
SCHEMBL16517556 0.71 HDAC1 (0.30)
SCHEMBL12621512 0.70 HDAC6 (0.33)
SCHEMBL17898136 0.70 CA14 (0.37)
SCHEMBL23134818 0.69 MAPK1 (0.35)
SCHEMBL20215933 0.69 MAPK1 (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
WO-2018023072-A2 COMPOUNDS AND COMPOSITIONS AND USES THEREOF SUNOVION PHARMACEUTICALS, INC. (US) 2018-02-01 WO disclosed