SCHEMBL1067451

SCHEMBL1067451

CCCCCNC(=O)/C(C)=C(/C)N

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.52
DPP7 Q9UHL4 2/20 0.50
PLA2G2A P14555 1/20 0.47
PLA2G4A P47712 1/20 0.47
CASP2 P42575 1/20 0.47
FAAH O00519 1/20 0.44
ZDHHC20 Q5W0Z9 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
NAAA Q02083 1/20 0.44
GNAI3 P08754 1/20 0.44
GNAO1 P09471 1/20 0.44
GNAI1 P63096 1/20 0.44
SPHK1 Q9NYA1 3/20 0.42

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
SCHEMBL8775087 0.98 EPHX1 (0.55) EPHX1DPP7PLA2G2APLA2G4ACASP2
SCHEMBL994218 0.94 EPHX1 (0.47) EPHX1DPP7PLA2G2APLA2G4A
SCHEMBL36267 0.85 MMP1 (0.40) EPHX1DPP7PLA2G4A
Hydrochloric Acid SCHEMBL2066264 0.83 MMP1 (0.39) EPHX1DPP7PLA2G4A
Sulfuric Acid SCHEMBL2065285 0.82 EPHX1 (0.38) EPHX1DPP7PLA2G2APLA2G4A
SCHEMBL9127132 0.82 PLA2G2A (0.38) EPHX1DPP7PLA2G2APLA2G4ACASP2
SCHEMBL28969087 0.82 EPHX1 (0.59) EPHX1DPP7PLA2G2APLA2G4ACASP2
Acetone SCHEMBL10451495 0.82 MCL1 (0.39) EPHX1DPP7PLA2G4A
Chloromethane SCHEMBL4631102 0.82 MMP1 (0.38) EPHX1DPP7PLA2G4A
SCHEMBL972622 0.81 EPHX1 (0.58) EPHX1DPP7PLA2G2APLA2G4ACASP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0606742-B1 Bile acid sequestrant ROHM & HAAS (US) 1997-11-19 EP claimed
EP-0606742-A1 Bile acid sequestrant ROHM AND HAAS COMPANY (US) 1994-07-20 EP claimed
EP-2168991-B1 New ethylene copolymeres, compositions comprising the same and treatment method OREAL (FR) 2013-10-09 EP disclosed
EP-1632508-B1 New ethylene copolymeres, compositions comprising the same and treatment method OREAL (FR) 2011-01-05 EP disclosed
EP-2168991-A1 New ethylene copolymeres, compositions comprising the same and treatment method L'Oreal (FR) 2010-03-31 EP disclosed
EP-1514884-B1 Block copolymer comprising a vinyllactam block, cosmetic composition and use of this polymer in cosmetics OREAL (FR) 2009-08-26 EP disclosed
EP-1632508-A2 New ethylene copolymeres, compositions comprising the same and treatment method L'OREAL (FR) 2006-03-08 EP disclosed
EP-1514532-A1 Block copolymer comprising a vinyllactam block, cosmetic composition and use of this polymer in cosmetics L'OREAL (FR) 2005-03-16 EP disclosed
EP-1514884-A1 Block copolymer comprising a vinyllactam block, cosmetic composition and use of this polymer in cosmetics L'OREAL (FR) 2005-03-16 EP disclosed
EP-0606742-B1 Bile acid sequestrant ROHM & HAAS (US) 1997-11-19 EP disclosed
EP-0606742-A1 Bile acid sequestrant ROHM AND HAAS COMPANY (US) 1994-07-20 EP disclosed