SCHEMBL3391589

SCHEMBL3391589

CCCN/C(=C/C(N)=O)C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
EPHX1 P07099 4/20 0.36
MCL1 Q07820 1/20 0.35
KDM4C Q9H3R0 1/20 0.33
CTSD P07339 1/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 2/20 0.32
CNR1 P21554 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 2/20 0.32
PAOX Q6QHF9 1/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.30
THRB P10828 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
HTR2A P28223 1/20 0.30

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
SCHEMBL3419359 0.87 MMP1 (0.30) MMP1MMP2MMP3MMP9
SCHEMBL4950437 0.86 MMP1 (0.36) MMP1MMP2MMP3MMP9EPHX1
SCHEMBL4950431 0.86 ALOX15 (0.36) MMP1MMP2MMP3MMP9EPHX1
SCHEMBL367720 0.75
SCHEMBL368856 0.75
SCHEMBL5028670 0.71 LPAR2 (0.40)
SCHEMBL8395945 0.70
SCHEMBL11501390 0.69 EPHX1 (0.52) EPHX1SMN1; SMN2
SCHEMBL23287 0.69
SCHEMBL380975 0.68 ALDH1A1 (0.44) MMP1MMP2MMP3MMP9EPHX1

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
WO-2023210565-A1 DETERGENT COMPOSITION INCLUDING VINYL-ALCOHOL-BASED COPOLYMER 株式会社日本触媒 2023-11-02 WO disclosed
WO-2023182439-A1 CEMENT-BASED HYDRAULIC-SETTING MATERIAL 株式会社大林組 2023-09-28 WO disclosed
EP-2152771-A1 PRODUCTION METHOD OF UNSATURATED (POLY)ALKYLENE GLYCOL ETHER MONOMER AND PRODUCTION METHOD OF (POLY)ALKYLENE GLYCOL CHAIN-CONTAINING POLYMER Nippon Shokubai Co., Ltd. (JP) 2010-02-17 EP disclosed
WO-2008126909-A1 PRODUCTION METHOD OF UNSATURATED (POLY)ALKYLENE GLYCOL ETHER MONOMER AND PRODUCTION METHOD OF (POLY)ALKYLENE GLYCOL CHAIN-CONTAINING POLYMER NIPPON SHOKUBAI CO., LTD. (JP) 2008-10-23 WO disclosed