SCHEMBL11200464

SCHEMBL11200464

COC(=O)CCN1CCSCC(NC(=O)OC(C)(C)C)C1=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 6/20 0.44
▸ GAA P10253 1/20 0.38
▸ F2 P00734 1/20 0.37
▸ F10 P00742 1/20 0.37
▸ PRSS1 P07477 1/20 0.37
▸ CASP1 P29466 2/20 0.36
▸ CASP8 Q14790 1/20 0.36
▸ CTSD P07339 3/20 0.34
▸ BACE1 P56817 2/20 0.34
▸ CTSK P43235 2/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34

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
SCHEMBL10833244 0.89 F2 (0.42) SRCGAAF2F10PRSS1
SCHEMBL13818416 0.84 SRC (0.44) SRCGAAF2F10PRSS1
SCHEMBL7428585 0.83 CASP1 (0.43) SRCGAAF2F10PRSS1
SCHEMBL12494278 0.82 F2 (0.48) SRCGAAF2F10PRSS1
SCHEMBL17770856 0.82 F2 (0.48) SRCGAAF2F10PRSS1
SCHEMBL5903395 0.81 SRC (0.42) SRCGAAF2F10PRSS1
SCHEMBL13818390 0.78 SRC (0.54) SRCCASP1CASP8
SCHEMBL13818394 0.77 SRC (0.49) SRCF2F10PRSS1CASP1
SCHEMBL13818397 0.76 SRC (0.46) SRCCASP1CASP8
SCHEMBL10833418 0.75 F2 (0.46) SRCGAAF2F10PRSS1

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
EP-0068173-A1 Perhydro-1,4-thiazepin-5-one and perhydro-1,4-thiazocin-5-one derivatives, process for preparing and pharmceutical composition containing the same MERCK & CO. INC. (US) 1983-01-05 — — EP disclosed
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