SCHEMBL16246048

SCHEMBL16246048

C=CCC(C)C(O)=C1C(=O)OC(C)(C)OC1=O

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 6/20 0.59
▸ ACP1 P24666 4/20 0.43
▸ CDC25B P30305 4/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ CYP2C19 P33261 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL3590452 0.75 PTPN1 (1.00) PTPN1ACP1CDC25BL3MBTL1ALDH1A1
SCHEMBL16260823 0.72 PTPN1 (0.59) PTPN1ACP1CDC25BALDH1A1
SCHEMBL8695220 0.72 PTPN1 (0.71) PTPN1ACP1CDC25BL3MBTL1ALDH1A1
SCHEMBL14194482 0.70 PTPN1 (0.68) PTPN1ACP1CDC25BL3MBTL1ALDH1A1
SCHEMBL23301816 0.68 PTPN1 (0.65) PTPN1ACP1CDC25BL3MBTL1ALDH1A1
SCHEMBL21142614 0.68 PTPN1 (0.65) PTPN1ACP1CDC25BL3MBTL1ALDH1A1
SCHEMBL14103263 0.67 PTPN1 (0.58) PTPN1ACP1CDC25BL3MBTL1ALDH1A1
SCHEMBL16236025 0.67 PTPN1 (0.62) PTPN1ACP1CDC25BL3MBTL1ALDH1A1
SCHEMBL14194487 0.66 PTPN1 (0.57) PTPN1ACP1CDC25BL3MBTL1ALDH1A1
SCHEMBL20826561 0.65 PTPN1 (0.86) PTPN1ACP1CDC25BL3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2994535-B1 PRODUCTION OF MYXOPYRONIN AND OF ITS DERIVATIVES HELMHOLTZ ZENTRUM INFEKTIONSFORSCHUNG GMBH (DE) 2018-12-05 — — EP disclosed
EP-2994535-A1 PRODUCTION OF MYXOPYRONIN AND OF ITS DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2016-03-16 — — EP disclosed
WO-2014181000-A1 PRODUCTION OF MYXOPYRONIN AND OF ITS DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2014-11-13 — — WO disclosed
WO-2014181000-A1 PRODUCTION OF MYXOPYRONIN AND OF ITS DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2014-11-13 — — WO disclosed
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