SCHEMBL9556974

SCHEMBL9556974

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

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CTSB P07858 4/20 0.57
▸ TACR1 P25103 2/20 0.55
▸ CTSL P07711 3/20 0.54
▸ CTSS P25774 3/20 0.54
▸ CTSK P43235 2/20 0.54
▸ CAPN1 P07384 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ CTRB1 P17538 2/20 0.51

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
SCHEMBL9556978 1.00 CTSB (0.57) CTSBTACR1CTSLCTSSCTSK
SCHEMBL16322884 0.95 CAPN1 (0.58) CTSBTACR1CTSLCTSSCTSK
SCHEMBL9556498 0.95 CAPN1 (0.58) CTSBTACR1CTSLCTSSCTSK
SCHEMBL16321202 0.95 CAPN1 (0.58) CTSBTACR1CTSLCTSSCTSK
SCHEMBL16322231 0.95 CAPN1 (0.58) CTSBTACR1CTSLCTSSCTSK
SCHEMBL1038643 0.95 CAPN1 (0.58) CTSBTACR1CTSLCTSSCTSK
SCHEMBL1037693 0.88 CTSL (0.57) CTSBTACR1CTSLCTSSCTSK
SCHEMBL16323443 0.88 CTSL (0.57) CTSBTACR1CTSLCTSSCTSK
SCHEMBL16323306 0.88 CTSL (0.57) CTSBTACR1CTSLCTSSCTSK
SCHEMBL16322478 0.88 CTSL (0.57) CTSBTACR1CTSLCTSSCTSK

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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