SCHEMBL4950437

SCHEMBL4950437

CCCNC(=CC(=O)O)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
MMP9 P14780 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
EPHX1 P07099 2/20 0.35
MCL1 Q07820 1/20 0.34
ALOX15 P16050 1/20 0.32
CTSD P07339 1/20 0.31
LMNA P02545 1/20 0.31
KDM4E B2RXH2 5/20 0.31
CNR1 P21554 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PAOX Q6QHF9 1/20 0.31
TSHR P16473 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
SCHEMBL3391589 0.86 MMP1 (0.38) MMP1MMP2MMP3MMP9KDM4C
SCHEMBL4950431 0.76 ALOX15 (0.36) MMP1MMP2MMP3MMP9KDM4C
SCHEMBL3419359 0.74 MMP1 (0.30) MMP1MMP2MMP3MMP9
SCHEMBL2278166 0.72 MMP1 (0.40) MMP1MMP2MMP3MMP9KDM4C
SCHEMBL8395945 0.69
SCHEMBL11501390 0.68 EPHX1 (0.52) EPHX1
SCHEMBL23287 0.68
SCHEMBL19806797 0.67 MMP1 (0.39) MMP1MMP2MMP3MMP9KDM4C
SCHEMBL29221853 0.66
Hydrochloric Acid SCHEMBL27920831 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368488-B2 Cement admixture and cement admixture composite NIPPON SHOKUBAI CO., LTD. (JP) 2008-05-06 US disclosed
EP-1390317-A4 CEMENT ADMIXTURE AND CEMENT COMPOSITION NIPPON CATALYTIC CHEM IND (JP) 2006-10-04 EP disclosed
EP-1483219-A4 CONCRETE COMPOSITION, METHOD OF PRODUCING CONCRETE COMPOSITIONS, AND CEMENT ADMIXTURE NIPPON CATALYTIC CHEM IND (JP) 2006-08-09 EP disclosed
EP-1622845-A4 CEMENT ADMIXTURE AND CEMENT ADMIXTURE COMPOSITE NIPPON CATALYTIC CHEM IND (JP) 2006-07-19 EP disclosed
EP-1680377-A1 CEMENT ADMIXTURE Nippon Shokubai Co., Ltd. (JP) 2006-07-19 EP disclosed
EP-1622845-A1 CEMENT ADMIXTURE AND CEMENT ADMIXTURE COMPOSITE Nippon Shokubai Co., Ltd. (JP) 2006-02-08 EP disclosed
EP-1622844-A1 POLYCARBOXYLIC ACID CONCRETE ADMIXTURE Nippon Shokubai Co., Ltd. (JP) 2006-02-08 EP disclosed
EP-1620371-A1 CEMENT ADMIXTURE AND CEMENT COMPOSITION Nippon Shokubai Co., Ltd. (JP) 2006-02-01 EP disclosed
EP-1601627-A1 CEMENT ADMIXTURE, CEMENT COMPOSITION AND METHOD FOR LAYING WORK THE SAME, AND METHOD FOR PRODUCING CEMENT HARDENED PRODUCT Nippon Shokubai Co., Ltd. (JP) 2005-12-07 EP disclosed
WO-2005044752-A1 CEMENT ADMIXTURE NIPPON SHOKUBAI CO., LTD. (JP) 2005-05-19 WO disclosed
EP-1483219-A1 CONCRETE COMPOSITION, METHOD OF PRODUCING CONCRETE COMPOSITIONS, AND CEMENT ADMIXTURE Nippon Shokubai Co., Ltd. (JP) 2004-12-08 EP disclosed
WO-2004099100-A1 CEMENT ADMIXTURE AND CEMENT ADMIXTURE COMPOSITE NIPPON SHOKUBAI CO., LTD. (JP) 2004-11-18 WO disclosed
WO-2004099099-A1 POLYCARBOXYLIC ACID CONCRETE ADMIXTURE NIPPON SHOKUBAI CO., LTD. (JP) 2004-11-18 WO disclosed
WO-2004089845-A1 CEMENT ADMIXTURE AND CEMENT COMPOSITION NIPPON SHOKUBAI CO., LTD. (JP) 2004-10-21 WO disclosed
WO-2004078672-A1 CEMENT ADMIXTURE, CEMENT COMPOSITION AND METHOD FOR LAYING WORK THE SAME, AND METHOD FOR PRODUCING CEMENT HARDENED PRODUCT NIPPON SHOKUBAI CO., LTD. (JP) 2004-09-16 WO disclosed
EP-1390317-A1 CEMENT ADMIXTURE AND CEMENT COMPOSITION Nippon Shokubai Co., Ltd. (JP) 2004-02-25 EP disclosed
WO-2003066542-A1 CONCRETE COMPOSITION, METHOD OF PRODUCING CONCRETE COMPOSITIONS, AND CEMENT ADMIXTURE NIPPON SHOKUBAI CO., LTD. (JP) 2003-08-14 WO disclosed
WO-2002096823-A1 CEMENT ADMIXTURE AND CEMENT COMPOSITION NIPPON SHOKUBAI CO., LTD. (JP) 2002-12-05 WO disclosed