SCHEMBL29184663

SCHEMBL29184663

COC(=O)C(CC(C)C)NC(=O)C(Cc1ccc(F)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.62
CTSK P43235 3/20 0.62
REN P00797 6/20 0.56
PSEN1 P49768 4/20 0.50
PSEN2 P49810 4/20 0.50
APH1B Q8WW43 4/20 0.50
NCSTN Q92542 4/20 0.50
APH1A Q96BI3 4/20 0.50
PSENEN Q9NZ42 4/20 0.50
NOS3 P29474 1/20 0.49
NOS1 P29475 1/20 0.49
NOS2 P35228 1/20 0.49
MMP1 P03956 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
SCHEMBL24754846 1.00 CTSS (0.62) CTSSCTSKRENPSEN1PSEN2
SCHEMBL24754751 1.00 CTSS (0.62) CTSSCTSKRENPSEN1PSEN2
SCHEMBL22962028 0.91 REN (0.56) CTSSCTSKRENPSEN1PSEN2
SCHEMBL28069173 0.90 CTSS (0.61) CTSSCTSKRENPSEN1PSEN2
SCHEMBL24754754 0.90 CTSS (0.66) CTSSCTSKREN
SCHEMBL28069172 0.90 CTSS (0.61) CTSSCTSKRENPSEN1PSEN2
SCHEMBL24754850 0.90 CTSS (0.66) CTSSCTSKREN
SCHEMBL29184618 0.90 CTSS (0.66) CTSSCTSKREN
SCHEMBL12706396 0.89 MMP1 (0.60) CTSSCTSKRENPSEN1PSEN2
SCHEMBL6857159 0.89 REN (0.68) CTSSCTSKRENPSEN1PSEN2

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
CN-117794580-A Polypeptide coupling medicine 肿瘤多肽有限公司 2024-03-29 CN disclosed