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SCHEMBL6923555

SCHEMBL6923555

CC(C)C[C@H](NC(=O)c1cc2ccccc2o1)C(=O)NCC(=O)CNS(=O)(=O)c1ccccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 17/20 1.00
▸ CTSS P25774 10/20 0.79
▸ CTSB P07858 4/20 0.79
▸ CTSL P07711 13/20 0.56
▸ CTSV O60911 2/20 0.56
▸ TAS1R3 Q7RTX0 2/20 0.53
▸ TAS1R1 Q7RTX1 2/20 0.53

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
SCHEMBL7464745 0.83 CTSK (0.71) CTSKCTSSCTSBCTSL
SCHEMBL7530060 0.81 CTSK (0.69) CTSKCTSSCTSBCTSLCTSV
SCHEMBL7563718 0.81 CTSK (0.69) CTSKCTSSCTSBCTSL
SCHEMBL7468998 0.79 CTSK (0.65) CTSKCTSSCTSBCTSLCTSV
SCHEMBL28750776 0.79 TAS1R3 (0.71) CTSKCTSSCTSBTAS1R3TAS1R1
SCHEMBL28750777 0.79 TAS1R3 (0.71) CTSKCTSSCTSBTAS1R3TAS1R1
SCHEMBL6621862 0.78 CTSK (0.71) CTSKCTSSCTSBCTSLCTSV
SCHEMBL7160519 0.78 CTSK (0.63) CTSKCTSSCTSBCTSL
SCHEMBL12831375 0.75 TAS1R3 (0.74) CTSKCTSSCTSBTAS1R3TAS1R1
SCHEMBL5935024 0.73 CTSK (0.58) CTSKCTSSCTSBCTSL

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6518267-B1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-02-11 — — US claimed
US-6518267-B1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2003-02-11 — — US disclosed
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