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Sugi Predict / Compounds / SCHEMBL6479823

SCHEMBL6479823

SCHEMBL6479823

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(OC(=O)N2CCN(C(=O)c3ccccc3)CC2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 6/20 0.54
▸ CTSL P07711 3/20 0.54
▸ P2RX7 Q99572 9/20 0.52
▸ CAPN1 P07384 2/20 0.51
▸ CACNA1B Q00975 1/20 0.50
▸ CTSS P25774 1/20 0.50

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
SCHEMBL6481485 0.93 CTSK (0.56) CTSKCTSLP2RX7CAPN1CTSS
SCHEMBL6479130 0.90 CTSK (0.55) CTSKCTSLP2RX7CAPN1CACNA1B
SCHEMBL6474204 0.87 MAPK1 (0.56) CTSKCTSLP2RX7CAPN1CACNA1B
SCHEMBL6474199 0.87 MAPK1 (0.56) CTSKCTSLP2RX7CAPN1CACNA1B
Hydrochloric Acid SCHEMBL7540225 0.86 CACNA1B (0.51) CACNA1B
Hydrochloric Acid SCHEMBL6474064 0.86 CACNA1B (0.51) CACNA1B
SCHEMBL6473065 0.85 MAPK1 (0.52) CTSKCTSLP2RX7CAPN1CACNA1B
SCHEMBL2059100 0.84 P2RX7 (0.59) P2RX7CACNA1B
SCHEMBL10349214 0.83 CTSK (0.69) CTSKCTSLCAPN1CTSS
SCHEMBL6480404 0.82 CTSK (0.58) CTSKCTSLCAPN1CTSS

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-6867192-B1 Compounds useful in the treatment of inflammatory diseases GLAXO GROUP LIMITED (GB) 2005-03-15 — — US disclosed
EP-1140837-B1 COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES GLAXO GROUP LTD (GB) 2004-08-18 — — EP disclosed