SCHEMBL14479031

SCHEMBL14479031

COC(=O)[C@H](CC(C)C)NC(=O)CC[C@H](NC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TAS1R3 Q7RTX0 17/20 0.56
▸ TAS1R1 Q7RTX1 17/20 0.56
▸ CTSL P07711 1/20 0.50
▸ CTSB P07858 1/20 0.50
▸ CTSS P25774 1/20 0.50
▸ CTSK P43235 1/20 0.50
▸ FOLH1 Q04609 1/20 0.50

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
SCHEMBL10407750 0.87 TAS1R3 (0.68) TAS1R3TAS1R1CTSLCTSBCTSS
SCHEMBL6241209 0.87 TAS1R3 (0.68) TAS1R3TAS1R1CTSLCTSBCTSS
SCHEMBL14479013 0.84 TAS1R3 (0.49) TAS1R3TAS1R1
SCHEMBL14479012 0.82 PRSS1 (0.53) TAS1R3TAS1R1
SCHEMBL14479014 0.82 TAS1R3 (0.46) TAS1R3TAS1R1CTSLCTSBCTSS
SCHEMBL2158906 0.80 CTSL (0.67) CTSLCTSBCTSSCTSK
SCHEMBL4465251 0.80 CTSL (0.67) CTSLCTSBCTSSCTSK
SCHEMBL2158900 0.80 CTSL (0.67) CTSLCTSBCTSSCTSK
SCHEMBL14479005 0.79 TAS1R3 (0.58) TAS1R3TAS1R1CTSLCTSBCTSS
SCHEMBL16359991 0.78 TAS1R3 (0.52) TAS1R3TAS1R1CTSLCTSBCTSS

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-2013001120-A1 CHEMICAL PROCESS FOR THE SELECTIVE MODIFICATION OF PEPTIDES CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (CSIC) (ES) 2013-01-03 — — WO disclosed
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