SCHEMBL6923136

SCHEMBL6923136

COC(=O)CNC(=O)[C@H](Cc1ccccc1)NCC(=O)OC(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 8/20 0.54
▸ CTSK P43235 7/20 0.54
▸ CTSB P07858 2/20 0.54
▸ CTSL P07711 1/20 0.54
▸ ITGA4 P13612 1/20 0.49
▸ ITGB7 P26010 1/20 0.49
▸ MAPT P10636 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ AKT1 P31749 1/20 0.47
▸ KLKB1 P03952 1/20 0.47
▸ BCHE P06276 1/20 0.44
▸ ACE P12821 1/20 0.44
▸ KLK5 Q9Y337 1/20 0.43
▸ REN P00797 2/20 0.43

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
SCHEMBL6923147 1.00 CTSS (0.54) CTSSCTSKCTSBCTSLITGA4
SCHEMBL6440329 0.86 ITGA4 (0.58) CTSSCTSKCTSBCTSLITGA4
SCHEMBL4022463 0.86 ITGA4 (0.58) CTSSCTSKCTSBCTSLITGA4
SCHEMBL4022466 0.86 ITGA4 (0.58) CTSSCTSKCTSBCTSLITGA4
SCHEMBL2476918 0.85 ACE (0.54) CTSSCTSKCTSBCTSLITGA4
SCHEMBL3026223 0.85 ACE (0.54) CTSSCTSKCTSBCTSLITGA4
SCHEMBL3268059 0.85 ACE (0.54) CTSSCTSKCTSBCTSLITGA4
SCHEMBL4465196 0.85 CTSS (0.74) CTSSCTSKCTSBCTSLAKT1
SCHEMBL4465200 0.85 CTSS (0.74) CTSSCTSKCTSBCTSLAKT1
SCHEMBL13200758 0.85 CTSS (0.48) CTSSCTSKCTSBCTSLKLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6518273-B1 2-aryl indole derivative as antagonists of tachykinins MERCK SHARP & DOHME LTD. 2003-02-11 — — US disclosed
US-6516443-B1 Error detection convolution code and post processor for correcting dominant error events of a trellis sequence detector in a sampled amplitude read channel for disk storage systems CIRRUS LOGIC, INCORPORATED 2003-02-04 — — US disclosed
WO-2000051984-A1 2-ARYL INDOLE DERIVATIVES AS ANTAGONISTS OF TACHYKININS MERCK SHARP & DOHME LIMITED (GB) 2000-09-08 — — WO disclosed
Send feedback