SCHEMBL6272041

SCHEMBL6272041

C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1)C(=O)C=[N+]=[N-]

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 8/20 0.55
▸ CTSB P07858 6/20 0.55
▸ CTSS P25774 3/20 0.53
▸ CTSK P43235 2/20 0.53
▸ CASP1 P29466 1/20 0.53
▸ TACR1 P25103 2/20 0.52
▸ CAPN1 P07384 1/20 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
SCHEMBL9364460 0.96 CTSL (0.59) CTSLCTSBCTSSCTSKTACR1
SCHEMBL31397610 0.96 CTSL (0.59) CTSLCTSBCTSSCTSKTACR1
SCHEMBL2601905 0.96 CTSL (0.59) CTSLCTSBCTSSCTSKTACR1
SCHEMBL3663415 0.90 CASP1 (0.53) CTSLCTSBCTSSCTSKCASP1
SCHEMBL29577873 0.87 CAPN1 (0.60) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL2601895 0.86 TACR1 (0.59) CTSLCTSBCTSSCTSKTACR1
SCHEMBL6272059 0.86 TACR1 (0.59) CTSLCTSBCTSSCTSKTACR1
SCHEMBL16323443 0.86 CTSL (0.57) CTSLCTSBCTSSCTSKTACR1
SCHEMBL16322636 0.86 CAPN1 (0.60) CTSLCTSBCTSSCTSKTACR1
SCHEMBL1037693 0.86 CTSL (0.57) CTSLCTSBCTSSCTSKTACR1

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-2005106025-A1 METABOLIC TEST PML APPLICATIONS LTD. (GB) 2005-11-10 — — WO disclosed
Send feedback