SCHEMBL18615992

SCHEMBL18615992

CS(=O)(=O)c1ccc(-c2ccc3cc(C(=N)NC4(C(=O)NC5(C#N)CC5)CCCCC4)oc3c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 7/20 0.40
▸ CTSK P43235 15/20 0.38
▸ CTSB P07858 12/20 0.38
▸ CTSS P25774 12/20 0.38
▸ CTSV O60911 1/20 0.38
▸ CTSF Q9UBX1 1/20 0.38
▸ CTSC P53634 1/20 0.34

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
SCHEMBL18617269 0.92 CTSK (0.38) CTSLCTSKCTSBCTSSCTSV
SCHEMBL18616546 0.91 CTSL (0.45) CTSLCTSKCTSBCTSSCTSV
SCHEMBL18616651 0.91 CTSL (0.45) CTSLCTSKCTSBCTSSCTSV
SCHEMBL18615881 0.91 CTSL (0.46) CTSLCTSKCTSBCTSSCTSV
SCHEMBL18615940 0.86 CTSL (0.45) CTSLCTSKCTSBCTSS
SCHEMBL28656923 0.84 CTSL (0.45) CTSLCTSKCTSBCTSSCTSV
SCHEMBL18616591 0.84 CTSL (0.46) CTSLCTSKCTSBCTSSCTSV
SCHEMBL18616590 0.84 CTSC (0.41) CTSLCTSKCTSBCTSSCTSV
SCHEMBL18615942 0.83 CTSK (0.41) CTSLCTSKCTSBCTSSCTSV
SCHEMBL18617258 0.81 CTSL (0.41) CTSLCTSKCTSBCTSSCTSV

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-2017036357-A1 CATHEPSIN K INHIBITOR AND APPLICATION THEREOF 广东东阳光药业有限公司 2017-03-09 — — WO disclosed
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