SCHEMBL6269817

SCHEMBL6269817

CC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(C)C

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSD P07339 2/20 0.59
▸ ALDH1A1 P00352 1/20 0.58
▸ ALOX15 P16050 1/20 0.58
▸ CTSB P07858 3/20 0.56
▸ CTSK P43235 2/20 0.56
▸ CTSL P07711 2/20 0.56
▸ CTSS P25774 1/20 0.56
▸ ECE1 P42892 3/20 0.55
▸ CASP3 P42574 2/20 0.54
▸ CASP7 P55210 1/20 0.54
▸ MME P08473 1/20 0.54
▸ TACR1 P25103 2/20 0.54
▸ REN P00797 1/20 0.54

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
SCHEMBL23234582 0.99 ALDH1A1 (0.59) CTSDALDH1A1ALOX15CTSBCTSK
SCHEMBL7269151 0.90 ALDH1A1 (0.60) CTSDALDH1A1ALOX15CTSBCTSK
SCHEMBL3058668 0.90 ECE1 (0.61) CTSDCTSBCTSKCTSLCTSS
SCHEMBL25287172 0.90 ECE1 (0.61) CTSDCTSBCTSKCTSLCTSS
SCHEMBL7364481 0.90 CASP3 (0.62) ALDH1A1ALOX15CTSBCTSKCTSL
SCHEMBL9416814 0.89 ALDH1A1 (0.62) CTSDALDH1A1ALOX15CTSBCTSK
SCHEMBL8585984 0.88 ECE1 (0.57) CTSDALDH1A1ALOX15CTSBCTSK
SCHEMBL29480452 0.88 CTSD (0.57) CTSDCTSBCTSKCTSLCTSS
SCHEMBL6271137 0.87 CASP3 (0.64) CTSDCTSBCTSKCTSLCTSS
SCHEMBL23268999 0.87 CAPN1 (0.59) CTSDCTSBCTSKCTSLCTSS

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
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