SCHEMBL29617191

SCHEMBL29617191

COc1ccc(OC(=O)COCCOCCNC(=O)CCCC[C@@H]2SC[C@@H]3NC(=O)N[C@@H]32)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.64
▸ PRSS1 P07477 2/20 0.59
▸ PRSS2 P07478 2/20 0.59
▸ PRSS3 P35030 2/20 0.59
▸ TPSAB1 Q15661 2/20 0.59
▸ F2 P00734 1/20 0.59
▸ TDP1 Q9NUW8 3/20 0.55
▸ FOLH1 Q04609 4/20 0.54
▸ HSP90AB1 P08238 1/20 0.52
▸ CSNK2A2 P19784 1/20 0.52
▸ CSNK2B P67870 1/20 0.52
▸ CSNK2A1 P68400 1/20 0.52
▸ CAMK2B Q13554 1/20 0.52
▸ KEAP1 Q14145 1/20 0.52
▸ CA12 O43570 2/20 0.51
▸ CA1 P00915 2/20 0.51
▸ CA2 P00918 2/20 0.51
▸ CA9 Q16790 2/20 0.51
▸ FLT1 P17948 1/20 0.51
▸ FLT4 P35916 1/20 0.51

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
SCHEMBL29617217 0.89 PKM (0.66) PKMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL17171624 0.87 PKM (0.68) PKMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL19017236 0.85 F2 (0.73) PKMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL4968230 0.85 F2 (0.73) PKMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL15216220 0.85 F2 (0.73) PKMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL19751698 0.85 F2 (0.73) PKMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL30574542 0.84 TDP1 (0.71) PKMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL13328289 0.84 PKM (0.69) PKMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL22420486 0.84 F2 (0.68) PKMPRSS1PRSS2PRSS3TPSAB1
SCHEMBL13827288 0.84 F2 (0.73) PKMPRSS1PRSS2PRSS3TPSAB1

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
EP-4237856-A1 SITE-SELECTIVE MODIFICATION OF PROTEINS Danmarks Tekniske Universitet (DK) 2023-09-06 — — EP disclosed
WO-2022090520-A1 SITE-SELECTIVE MODIFICATION OF PROTEINS DANMARKS TEKNISKE UNIVERSITET (DK) 2022-05-05 — — WO disclosed
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