SCHEMBL9556498

SCHEMBL9556498

[N-]=[N+]=CC(=O)C(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.58
▸ TACR1 P25103 2/20 0.57
▸ CTSL P07711 7/20 0.56
▸ CTSB P07858 5/20 0.56
▸ CTSS P25774 2/20 0.56
▸ CTSK P43235 1/20 0.56

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
SCHEMBL1038643 1.00 CAPN1 (0.58) CAPN1TACR1CTSLCTSBCTSS
SCHEMBL16321202 1.00 CAPN1 (0.58) CAPN1TACR1CTSLCTSBCTSS
SCHEMBL16322231 1.00 CAPN1 (0.58) CAPN1TACR1CTSLCTSBCTSS
SCHEMBL16322884 1.00 CAPN1 (0.58) CAPN1TACR1CTSLCTSBCTSS
SCHEMBL9556974 0.95 CTSB (0.57) CAPN1TACR1CTSLCTSBCTSS
SCHEMBL9556978 0.95 CTSB (0.57) CAPN1TACR1CTSLCTSBCTSS
SCHEMBL16323443 0.90 CTSL (0.57) CAPN1TACR1CTSLCTSBCTSS
SCHEMBL16322478 0.90 CTSL (0.57) CAPN1TACR1CTSLCTSBCTSS
SCHEMBL1037693 0.90 CTSL (0.57) CAPN1TACR1CTSLCTSBCTSS
SCHEMBL16323306 0.90 CTSL (0.57) CAPN1TACR1CTSLCTSBCTSS

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
US-5223486-A Modified oligopeptide containing a diazomethyl ketone group or methylsulfonium group UNIVERSITY RESEARCH CORPORATION (US) 1993-06-29 — — US disclosed
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