SCHEMBL9356928

SCHEMBL9356928

CC(=O)Oc1ccc(OC(C)=O)c(CC=C(C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.51
PTGS1 P23219 1/20 0.47
PDE4A P27815 1/20 0.47
SNCA P37840 1/20 0.47
PDE3A Q14432 1/20 0.47
TRPV1 Q8NER1 1/20 0.42
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
PTPN2 P17706 1/20 0.39
CDC25B P30305 1/20 0.39
PSEN1 P49768 1/20 0.38
ACHE P22303 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL9356664 1.00 PTPN1 (0.51) PTPN1PTGS1PDE4ASNCAPDE3A
SCHEMBL9356897 1.00 PTPN1 (0.51) PTPN1PTGS1PDE4ASNCAPDE3A
SCHEMBL9356420 0.91 PTPN1 (0.51) PTPN1PTGS1PDE4ASNCAPDE3A
SCHEMBL9356414 0.91 PTPN1 (0.51) PTPN1PTGS1PDE4ASNCAPDE3A
SCHEMBL9356624 0.84 PTPN1 (0.54) PTPN1PTGS1PDE4ASNCAPDE3A
SCHEMBL9356628 0.84 PTPN1 (0.54) PTPN1PTGS1PDE4ASNCAPDE3A
SCHEMBL9356690 0.84 PTPN1 (0.53) PTPN1PTGS1PDE4ASNCAPDE3A
SCHEMBL9356685 0.84 PTPN1 (0.53) PTPN1PTGS1PDE4ASNCAPDE3A
SCHEMBL9356730 0.83 PTPN1 (0.52) PTPN1PTGS1PDE4ASNCAPDE3A
SCHEMBL9356725 0.83 PTPN1 (0.52) PTPN1PTGS1PDE4ASNCAPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0304842-B1 Isoprenoid derivatives and anti-ulcer agents containing the same NISSHIN FLOUR MILLING CO (JP) 1994-11-30 EP claimed
EP-0304842-A2 Isoprenoid derivatives and anti-ulcer agents containing the same NISSHIN FLOUR MILLING CO., LTD. (JP) 1989-03-01 EP claimed
EP-0304842-B1 Isoprenoid derivatives and anti-ulcer agents containing the same NISSHIN FLOUR MILLING CO (JP) 1994-11-30 EP disclosed
US-4906669-A Isoprenoid derivatives and anti-ulcer agents containing the same NISSHIN FLOUR MILLING CO., LTD. (JP) 1990-03-06 US disclosed
EP-0304842-A2 Isoprenoid derivatives and anti-ulcer agents containing the same NISSHIN FLOUR MILLING CO., LTD. (JP) 1989-03-01 EP disclosed