SCHEMBL25007334

SCHEMBL25007334

O=C[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCCCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.57
CTSB P07858 3/20 0.57
CAPN1 P07384 1/20 0.49

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
SCHEMBL25766839 0.89 CTSL (0.70) CTSLCTSBCAPN1
SCHEMBL25007333 0.88 CTSL (0.50) CTSLCTSBCAPN1
SCHEMBL25007337 0.87 CTSL (0.51) CTSLCTSBCAPN1
SCHEMBL30914040 0.85 CTSL (0.54) CTSLCTSB
SCHEMBL25766848 0.84 CTSL (0.56) CTSLCTSB
SCHEMBL24785346 0.83 CTSL (0.69) CTSLCTSBCAPN1
SCHEMBL28951112 0.83 CTSL (0.60) CTSLCTSBCAPN1
SCHEMBL28951110 0.83 CTSL (0.60) CTSLCTSBCAPN1
SCHEMBL25525541 0.83 CTSL (0.60) CTSLCTSBCAPN1
SCHEMBL25007338 0.83 CTSL (0.51) CTSLCTSBCAPN1

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
CN-118103351-A Coronavirus inhibitors 共晶制药公司 2024-05-28 CN disclosed
WO-2023014758-A1 INHIBITORS FOR CORONAVIRUSES COCRYSTAL PHARMA, INC. (US) 2023-02-09 WO disclosed