SCHEMBL30883180

SCHEMBL30883180

C/C(=C\CCC(=O)OC/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.74
PTPN2 P17706 1/20 0.61
CDC25B P30305 1/20 0.61
KDM1A O60341 1/20 0.54
PSEN1 P49768 2/20 0.42
ALDH1A1 P00352 1/20 0.42
ALOX15 P16050 1/20 0.42
PTGS1 P23219 1/20 0.42
PDE4A P27815 1/20 0.42
SNCA P37840 1/20 0.42
PDE3A Q14432 1/20 0.42
TRPV1 Q8NER1 1/20 0.40
BLM P54132 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38

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
SCHEMBL4761748 0.93 PTPN1 (0.81) PTPN1PTPN2CDC25BKDM1APSEN1
SCHEMBL8840225 0.93 PTPN1 (0.81) PTPN1PTPN2CDC25BKDM1APSEN1
SCHEMBL14273769 0.93 PTPN1 (0.81) PTPN1PTPN2CDC25BKDM1APSEN1
SCHEMBL8839911 0.92 PTPN1 (0.78) PTPN1PTPN2CDC25BKDM1APSEN1
SCHEMBL8839931 0.92 PTPN1 (0.78) PTPN1PTPN2CDC25BKDM1APSEN1
SCHEMBL8839935 0.92 PTPN1 (0.78) PTPN1PTPN2CDC25BKDM1APSEN1
SCHEMBL8839909 0.92 PTPN1 (0.78) PTPN1PTPN2CDC25BKDM1APSEN1
SCHEMBL8839905 0.90 PTPN1 (0.76) PTPN1PTPN2CDC25BKDM1APSEN1
SCHEMBL8840170 0.90 PTPN1 (0.76) PTPN1PTPN2CDC25BKDM1APSEN1
SCHEMBL8839978 0.90 PTPN1 (0.76) PTPN1PTPN2CDC25BKDM1APSEN1

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-4356894-A1 SUSTAINABLE PRODUCT WITH MALODORS Beiersdorf AG (DE) 2024-04-24 EP claimed
EP-4356894-A1 SUSTAINABLE PRODUCT WITH MALODORS Beiersdorf AG (DE) 2024-04-24 EP disclosed