SCHEMBL13784231

SCHEMBL13784231

CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)N[C@H]1CC[C@@H](C)N(C(=O)N2CCCCC2)CC1=O

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 17/20 0.64
CTSL P07711 15/20 0.64
CTSS P25774 11/20 0.64
CTSB P07858 4/20 0.64
CTSV O60911 2/20 0.64
TAS1R3 Q7RTX0 2/20 0.48
TAS1R1 Q7RTX1 2/20 0.48

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
SCHEMBL6843731 0.93 CTSK (0.64) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4317293 0.89 CTSK (0.69) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4317277 0.89 CTSK (0.69) CTSKCTSLCTSSCTSBCTSV
SCHEMBL13784233 0.88 CTSK (0.64) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4457933 0.88 CTSK (0.57) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4312486 0.86 CTSK (0.66) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4312489 0.86 CTSK (0.66) CTSKCTSLCTSSCTSBCTSV
SCHEMBL13784234 0.86 CTSK (0.66) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4316058 0.85 CTSK (0.64) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4313094 0.85 CTSK (0.64) CTSKCTSLCTSSCTSBCTSV

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
US-7563784-B2 Protease inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-07-21 US disclosed