SCHEMBL19015818

SCHEMBL19015818

CC(C)(C)OC(=O)CC(N)/C=C/[S+]([O-])N1CCOCC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ CTSK P43235 3/20 0.32
▸ RECQL P46063 1/20 0.32
▸ CTSL P07711 3/20 0.31
▸ CTSB P07858 3/20 0.31
▸ CTSD P07339 2/20 0.31
▸ CTSS P25774 2/20 0.31

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
SCHEMBL19015875 0.81 CTSK (0.45) USP2SMN1; SMN2CTSKCTSLCTSB
SCHEMBL19015743 0.77 HDAC3 (0.39) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL8369476 0.77 HDAC3 (0.39) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7886267 0.76 CASP3 (0.38) USP2SMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL19015771 0.75 HDAC3 (0.38) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL19015926 0.69 CA2 (0.35) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL7713974 0.69 HDAC3 (0.44) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL17821060 0.67 USP2 (0.47) USP2SMN1; SMN2HDAC3HDAC1HDAC2
SCHEMBL646475 0.66 HDAC3 (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL644647 0.66 HDAC3 (0.42) HDAC3HDAC1HDAC2HDAC8HDAC6

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-2288615-B1 SELECTIVE CASPASE INHIBITORS AND USES THEREOF GENESIS TECH LTD (BB) 2017-06-21 — — EP disclosed
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