SCHEMBL31005798

SCHEMBL31005798

CC(C)C[C@@H](NC(=O)OCc1cccc2c1Cc1ccccc1-2)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 11/20 0.47
▸ TYR P14679 1/20 0.45
▸ CTSL P07711 5/20 0.44
▸ CTSB P07858 3/20 0.44
▸ CTSS P25774 2/20 0.44
▸ CAPN1 P07384 2/20 0.44
▸ CAPN2 P17655 1/20 0.44

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
SCHEMBL2234378 1.00 CTSK (0.47) CTSKTYRCTSLCTSBCTSS
SCHEMBL22804081 1.00 CTSK (0.47) CTSKTYRCTSLCTSBCTSS
SCHEMBL27718876 1.00 CTSK (0.47) CTSKTYRCTSLCTSBCTSS
SCHEMBL30460474 1.00 CTSK (0.47) CTSKTYRCTSLCTSBCTSS
SCHEMBL10630925 0.92 CAPN1 (0.47) CTSKCTSLCTSBCTSSCAPN1
SCHEMBL10658422 0.92 TYR (0.41) CTSKTYRCTSLCTSBCTSS
SCHEMBL10658398 0.92 TYR (0.41) CTSKTYRCTSLCTSBCTSS
SCHEMBL30367329 0.89 PNMT (0.40) CTSKTYR
SCHEMBL30146700 0.89 PNMT (0.42) CTSKCAPN1CAPN2
Lysine SCHEMBL28193040 0.89 ACE (0.41) CTSKTYRCTSLCAPN1CAPN2

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-2024153243-A1 MODIFIED PEPTIDE AS TREM-1 INHIBITOR 武汉人福创新药物研发中心有限公司 2024-07-25 — — WO disclosed
Send feedback