SCHEMBL9360002

SCHEMBL9360002

C/C(=C\Cc1ccc(O)c(C)c1)CCCC(C)CCCC(C)CCCC(C)C

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.52
PDE4A P27815 1/20 0.52
SNCA P37840 1/20 0.52
PDE3A Q14432 1/20 0.52
PTPN1 P18031 3/20 0.50
TRPV1 Q8NER1 1/20 0.47
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
PTPN2 P17706 1/20 0.38
CDC25B P30305 1/20 0.38
PSEN1 P49768 2/20 0.37
KDM1A O60341 1/20 0.35

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
SCHEMBL9360006 1.00 PTGS1 (0.52) PTGS1PDE4ASNCAPDE3APTPN1
SCHEMBL9356606 0.90 PTPN1 (0.52) PTGS1PDE4ASNCAPDE3APTPN1
SCHEMBL9356601 0.90 PTPN1 (0.52) PTGS1PDE4ASNCAPDE3APTPN1
SCHEMBL9359961 0.86 PTPN1 (0.54) PTGS1PDE4ASNCAPDE3APTPN1
SCHEMBL9359966 0.86 PTPN1 (0.54) PTGS1PDE4ASNCAPDE3APTPN1
SCHEMBL1257001 0.84 PTGS1 (0.47) PTGS1PDE4ASNCAPDE3APTPN1
SCHEMBL3276562 0.83 PTGS1 (0.57) PTGS1PDE4ASNCAPDE3APTPN1
SCHEMBL10517656 0.82 PTGS1 (0.45) PTGS1PDE4ASNCAPDE3APTPN1
SCHEMBL2166510 0.82 PTGS1 (0.49) PTGS1PDE4ASNCAPDE3APTPN1
SCHEMBL7048351 0.81 PTPN1 (0.51) PTGS1PDE4ASNCAPDE3APTPN1

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-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