SCHEMBL10069059

SCHEMBL10069059

CC(C)(C)OC(=O)N[C@H](C#N)CC1CCOCC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSS P25774 10/20 0.52
CTSK P43235 10/20 0.52
CTSL P07711 5/20 0.39
CTSB P07858 4/20 0.39
CTSD P07339 1/20 0.39
KMT2A Q03164 1/20 0.38
AAK1 Q2M2I8 2/20 0.37
CTSH P09668 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
SCHEMBL14151799 0.90 CTSK (0.61) CTSSCTSKCTSLCTSBKMT2A
SCHEMBL14151800 0.90 CTSK (0.61) CTSSCTSKCTSLCTSBKMT2A
SCHEMBL19744842 0.81 CTSK (0.47) CTSSCTSKCTSLCTSBKMT2A
SCHEMBL16773 0.78 CTSS (0.57) CTSSCTSKCTSLCTSBKMT2A
SCHEMBL970178 0.78 CTSK (0.45) CTSSCTSKCTSLCTSBCTSD
SCHEMBL16774 0.78 CTSS (0.57) CTSSCTSKCTSLCTSBKMT2A
SCHEMBL970179 0.78 CTSK (0.45) CTSSCTSKCTSLCTSBCTSD
SCHEMBL16800 0.77 CTSK (0.53) CTSSCTSKCTSLKMT2AAAK1
SCHEMBL2199576 0.77 CTSK (0.53) CTSSCTSKCTSLKMT2AAAK1
SCHEMBL971301 0.77 CTSK (0.51) CTSSCTSKCTSLCTSBKMT2A

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-2012019428-A1 BENZOHYDROL DERIVATIVES, A PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF 上海恒瑞医药有限公司 (CN) 2012-02-16 WO disclosed