SCHEMBL22747965

SCHEMBL22747965

[CH2]COCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.69
▸ PRSS1 P07477 1/20 0.69
▸ PRSS2 P07478 1/20 0.69
▸ PRSS3 P35030 1/20 0.69
▸ TPSAB1 Q15661 1/20 0.69
▸ PKM P14618 3/20 0.67
▸ FOLH1 Q04609 4/20 0.65
▸ TDP1 Q9NUW8 5/20 0.62
▸ MEN1 O00255 1/20 0.58
▸ ABL1 P00519 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ IDE P14735 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ RIN1 Q13671 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ CA12 O43570 2/20 0.57
▸ CA1 P00915 2/20 0.57
▸ CA2 P00918 2/20 0.57
▸ CA9 Q16790 2/20 0.57

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
SCHEMBL22748048 1.00 F2 (0.69) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL22747968 1.00 F2 (0.69) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL19751698 0.96 F2 (0.73) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL15216220 0.96 F2 (0.73) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL4968230 0.96 F2 (0.73) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL19017236 0.96 F2 (0.73) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL27015699 0.92 F2 (0.69) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL24767163 0.92 F2 (0.69) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL22767679 0.92 F2 (0.69) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL18549029 0.92 F2 (0.69) F2PRSS1PRSS2PRSS3TPSAB1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3976185-B1 HECT E3 LIGASE INHIBITORS AND USES THEREOF IFOM ST FONDAZIONE DI ONCOLOGIA MOLECOLARE ETS (IT) 2024-02-14 — — EP claimed
EP-3976185-A1 HECT E3 LIGASE INHIBITORS AND USES THEREOF IFOM - Fondazione Istituto FIRC di Oncologia Molecolare (IT) 2022-04-06 — — EP claimed
WO-2020245213-A1 HECT E3 LIGASE INHIBITORS AND USES THEREOF IFOM - FONDAZIONE ISTITUTO FIRC DI ONCOLOGIA MOLECOLARE (IT) 2020-12-10 — — WO claimed
EP-3976185-B1 HECT E3 LIGASE INHIBITORS AND USES THEREOF IFOM ST FONDAZIONE DI ONCOLOGIA MOLECOLARE ETS (IT) 2024-02-14 — — EP disclosed
EP-3976185-A1 HECT E3 LIGASE INHIBITORS AND USES THEREOF IFOM - Fondazione Istituto FIRC di Oncologia Molecolare (IT) 2022-04-06 — — EP disclosed
WO-2020245213-A1 HECT E3 LIGASE INHIBITORS AND USES THEREOF IFOM - FONDAZIONE ISTITUTO FIRC DI ONCOLOGIA MOLECOLARE (IT) 2020-12-10 — — WO disclosed
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