SCHEMBL7846590

SCHEMBL7846590

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

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 2/20 0.56
CTSK P43235 8/20 0.54
CTSL P07711 8/20 0.54
CTSS P25774 4/20 0.54
CTSB P07858 4/20 0.54
HTRA1 Q92743 1/20 0.52
REN P00797 1/20 0.51
PSMB1 P20618 1/20 0.50
PSMB5 P28074 1/20 0.50
PSMB2 P49721 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
SCHEMBL7855929 0.87 HTRA1 (0.60) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL7846232 0.86 CAPN1 (0.64) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL7855985 0.85 CAPN1 (0.61) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL7846358 0.81 CAPN1 (0.67) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL7853467 0.81 CAPN1 (0.59) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL7853554 0.80 CTSL (0.60) CTSKCTSLCTSSCTSBHTRA1
SCHEMBL7854489 0.79 CAPN1 (0.58) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL7853569 0.79 CAPN1 (0.56) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL7326037 0.78 CAPN1 (0.78) CAPN1CTSKCTSLCTSSCTSB
SCHEMBL20825246 0.78 CAPN1 (0.78) CAPN1CTSKCTSLCTSSCTSB

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-6534530-B1 Administering (benzo)thiazole peptidomimetic as viricide; protease inhibitors AGOURON PHARMACEUTICALS, INC. 2003-03-18 US disclosed