SCHEMBL3283012

SCHEMBL3283012

C=C(NCCCC)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.50
ALOX15 P16050 1/20 0.50
ACHE P22303 8/20 0.47
MMP2 P08253 2/20 0.47
ZDHHC20 Q5W0Z9 1/20 0.44
ZDHHC2 Q9UIJ5 1/20 0.44
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
MMP1 P03956 1/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CASP2 P42575 1/20 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
SCHEMBL1462191 0.93 EPHX1 (0.56) EPHX1ALOX15ZDHHC20ZDHHC2HTT
SCHEMBL8931322 0.91 EPHX1 (0.59) EPHX1ZDHHC20ZDHHC2HTTALDH1A1
SCHEMBL3277865 0.91 EPHX1 (0.59) EPHX1ZDHHC20ZDHHC2HTTALDH1A1
SCHEMBL3278820 0.91 EPHX1 (0.59) EPHX1ZDHHC20ZDHHC2HTTALDH1A1
SCHEMBL28199266 0.91 EPHX1 (0.59) EPHX1ZDHHC20ZDHHC2HTTALDH1A1
SCHEMBL3278553 0.91 EPHX1 (0.59) EPHX1ZDHHC20ZDHHC2HTTALDH1A1
SCHEMBL3279311 0.86
SCHEMBL29134995 0.80 EPHX1 (0.48) EPHX1ALOX15ACHEMMP2ZDHHC20
SCHEMBL28977204 0.78 EPHX1 (0.47) EPHX1ALOX15ACHEMMP2ZDHHC20
SCHEMBL11520300 0.78 ACHE (0.48) EPHX1ACHEMMP2ZDHHC20ZDHHC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070113353-A1 Polymeric Surface Treatment Compositions THE CLOROX COMPANY 2007-05-24 US claimed
EP-3840960-B1 TYRE HAVING A COMPOSITION COMPRISING AN ETHYLENE-RICH ELASTOMER, A PEROXIDE AND A SPECIFIC ACRYLATE DERIVATIVE MICHELIN & CIE (FR) 2022-10-05 EP disclosed
CN-108368200-B Energy curable highly reactive polyvinyl ether or acrylate functional resins 巴斯夫欧洲公司 2021-09-17 CN disclosed
US-20100160487-A1 Polymeric Surface Treatment Compositions THE CLOROX COMPANY (US) 2010-06-24 US disclosed
US-7699941-B2 Polymeric surface treatment compositions THE CLOROX COMPANY (US) 2010-04-20 US disclosed
US-20070113353-A1 Polymeric Surface Treatment Compositions THE CLOROX COMPANY 2007-05-24 US disclosed
US-5001192-A Polymeric polyblend composition THE DOW CHEMICAL COMPANY (US) 1991-03-19 US disclosed
US-4975487-A Vinylidine chloride interpolymer and a thermoplastic graft polymer THE DOW CHEMICAL COMPANY (US) 1990-12-04 US disclosed
US-3948960-A ADDITION, HYDROGEN PEROXIDE, INTRAPHASE PONY INDUSTRIES, INC., A CORP. OF DE 1976-04-06 US disclosed