SCHEMBL30185744

SCHEMBL30185744

C[C@@H](O)[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 1/20 0.45
▸ CTSK P43235 9/20 0.44
▸ CTSS P25774 8/20 0.44
▸ CTSL P07711 1/20 0.41
▸ CTSB P07858 1/20 0.41
▸ APP P05067 1/20 0.40
▸ BACE1 P56817 2/20 0.40
▸ PDCD1LG2 Q9BQ51 1/20 0.38
▸ CD274 Q9NZQ7 1/20 0.38

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
SCHEMBL29576469 0.86 REN (0.47) RENCTSKCTSSCTSLCTSB
SCHEMBL23404059 0.86 REN (0.47) RENCTSKCTSSCTSLCTSB
SCHEMBL21724476 0.86 REN (0.47) RENCTSKCTSSCTSLCTSB
SCHEMBL7536416 0.85 CTSS (0.49) RENCTSKCTSSCTSLCTSB
SCHEMBL7536423 0.85 CTSS (0.49) RENCTSKCTSSCTSLCTSB
SCHEMBL7610438 0.83 CTSS (0.48) RENCTSKCTSS
SCHEMBL7610443 0.83 CTSS (0.48) RENCTSKCTSS
SCHEMBL22989798 0.82 CTSD (0.44) RENCTSKCTSSBACE1
SCHEMBL1486176 0.82 PPARA (0.47) CTSKCTSSCTSLCTSB
SCHEMBL1001711 0.82 PPARA (0.47) CTSKCTSSCTSLCTSB

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-117083074-A Pharmaceutical composition for enhancing anticancer effect of anticancer drug L 基础有限公司 2023-11-17 — — CN disclosed
CN-115605495-A Pharmaceutical composition for preventing or treating cancer L 基础有限公司(KR) 2023-01-13 — — CN disclosed
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