SCHEMBL7853554

SCHEMBL7853554

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

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.60
CTSB P07858 4/20 0.60
CTSS P25774 2/20 0.60
CTSK P43235 1/20 0.60
TACR1 P25103 2/20 0.55
ALDH1A1 P00352 1/20 0.51
ALOX15 P16050 1/20 0.51
HTRA1 Q92743 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
SCHEMBL7855929 0.93 HTRA1 (0.60) CTSLCTSBCTSSCTSKHTRA1
SCHEMBL7846232 0.82 CAPN1 (0.64) CTSLCTSBCTSSCTSKHTRA1
SCHEMBL7846590 0.80 CAPN1 (0.56) CTSLCTSBCTSSCTSKHTRA1
SCHEMBL12952246 0.80 CTSL (0.69) CTSLCTSBCTSSCTSKTACR1
SCHEMBL6560900 0.79 CTSK (0.56) CTSLCTSBCTSSCTSKTACR1
SCHEMBL10561905 0.79 CTSK (0.56) CTSLCTSBCTSSCTSKTACR1
SCHEMBL6560892 0.79 CTSK (0.56) CTSLCTSBCTSSCTSKTACR1
SCHEMBL7846358 0.78 CAPN1 (0.67) CTSLCTSBCTSSCTSKHTRA1
SCHEMBL7855985 0.78 CAPN1 (0.61) CTSLCTSBCTSSCTSKHTRA1
SCHEMBL7853467 0.78 CAPN1 (0.59) CTSLCTSBCTSSCTSKHTRA1

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