SCHEMBL28854983

SCHEMBL28854983

CCCCCCCCCCCCCCCCOC[C@H](NC(=O)OC(C)(C)C)C(=O)OCCC

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 7/20 0.46
▸ PLA2G2C Q5R387 6/20 0.44
▸ CTSS P25774 3/20 0.44
▸ USP2 O75604 1/20 0.44
▸ BCHE P06276 1/20 0.43
▸ ACHE P22303 1/20 0.43
▸ HTT P42858 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP3A4 P08684 1/20 0.39

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
SCHEMBL15936967 0.91 CTSK (0.49) CTSKCTSSBCHEACHEHTT
SCHEMBL20170528 0.85 CTSK (0.49) CTSKCTSSHTTCYP1A2CYP2C19
SCHEMBL31407501 0.85 PPARA (0.52) CTSKPLA2G2CCTSSUSP2
SCHEMBL15289799 0.85 CTSK (0.49) CTSKCTSSHTTCYP1A2CYP2C19
SCHEMBL16579319 0.84 CTSK (0.44) CTSKCTSSBCHEACHEHTT
SCHEMBL25886340 0.83 CTSK (0.49) CTSKCTSSHTTCYP1A2CYP2C19
SCHEMBL7761525 0.82 PPARA (0.47) CTSKPLA2G2CCTSSBCHEACHE
SCHEMBL24485595 0.82 PLA2G2C (0.57) CTSKPLA2G2CCTSSUSP2HTT
SCHEMBL2836699 0.82 PLA2G2C (0.57) CTSKPLA2G2CCTSSUSP2HTT
SCHEMBL16124568 0.81 CTSK (0.50) CTSKCTSSBCHEACHEHTT

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-115175735-A Antiviral compounds 吉利德科学公司 2022-10-11 — — CN disclosed
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