SCHEMBL8775087

SCHEMBL8775087

CCCCCCNC(=O)/C(C)=C(/C)N

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 8/20 0.55
PLA2G2A P14555 1/20 0.50
CASP2 P42575 1/20 0.50
PLA2G4A P47712 1/20 0.50
DPP7 Q9UHL4 1/20 0.49
FAAH O00519 1/20 0.47
ZDHHC20 Q5W0Z9 1/20 0.47
ZDHHC2 Q9UIJ5 1/20 0.47
NAAA Q02083 1/20 0.47
GNAI3 P08754 1/20 0.46
GNAO1 P09471 1/20 0.46
GNAI1 P63096 1/20 0.46
SPHK1 Q9NYA1 3/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPK1 P28482 1/20 0.45
HIF1A Q16665 1/20 0.45

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
SCHEMBL1067451 0.98 EPHX1 (0.52) EPHX1PLA2G2ACASP2PLA2G4ADPP7
SCHEMBL994218 0.92 EPHX1 (0.47) EPHX1PLA2G2APLA2G4ADPP7
SCHEMBL28969087 0.84 EPHX1 (0.59) EPHX1PLA2G2ACASP2PLA2G4ADPP7
SCHEMBL36267 0.84 MMP1 (0.40) EPHX1PLA2G4ADPP7KDM4E
SCHEMBL7748456 0.82 EPHX1 (0.61) EPHX1PLA2G2ACASP2PLA2G4ADPP7
SCHEMBL28983321 0.82 EPHX1 (0.61) EPHX1PLA2G2ACASP2PLA2G4ADPP7
SCHEMBL8962332 0.82 EPHX1 (0.61) EPHX1PLA2G2ACASP2PLA2G4ADPP7
SCHEMBL8962168 0.82 EPHX1 (0.61) EPHX1PLA2G2ACASP2PLA2G4ADPP7
Hydrochloric Acid SCHEMBL2066264 0.82 MMP1 (0.39) EPHX1PLA2G4ADPP7KDM4E
SCHEMBL8962477 0.82 EPHX1 (0.61) EPHX1PLA2G2ACASP2PLA2G4ADPP7

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 10 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
US-5451397-A Crosslinked amino functional acrylic amide polymer, reducing blood cholesterol levels ROHM AND HAAS COMPANY (US) 1995-09-19 US claimed
EP-0606742-A1 Bile acid sequestrant ROHM AND HAAS COMPANY (US) 1994-07-20 EP claimed
EP-0606742-B1 Bile acid sequestrant ROHM & HAAS (US) 1997-11-19 EP disclosed
US-5451397-A Crosslinked amino functional acrylic amide polymer, reducing blood cholesterol levels ROHM AND HAAS COMPANY (US) 1995-09-19 US disclosed
EP-0606742-A1 Bile acid sequestrant ROHM AND HAAS COMPANY (US) 1994-07-20 EP disclosed
EP-0428970-B1 Process for preparing aqueous solutions or suspensions of quaternization products of tertiary aminoalkylesters or tertiary aminoalkylamides of acrylic or methacrylic acid, for instance of dimethylaminoethyl-acrylate-methochloride BASF AG (DE) 1994-01-19 EP disclosed
EP-0113038-B1 PROCESS FOR PREPARING CONCENTRATED AQUEOUS SOLUTIONS OF QUATERNIZED PRODUCTS FROM TERTIARY AMINO ALKYL ESTERS OR AMIDES OF ACRYLIC OR METHACRYLIC ACIDS BASF Aktiengesellschaft (DE) 1986-09-10 EP disclosed
US-4520210-A ALKYLATION IN WATER SOLUBLE KETONE THEN SEPARATION BASF AKTIENGESELLSCHAFT (DE) 1985-05-28 US disclosed
EP-0113038-A2 Process for preparing concentrated aqueous solutions of quaternized products from tertiary amino alkyl esters or amides of acrylic or methacrylic acids BASF Aktiengesellschaft (DE) 1984-07-11 EP disclosed