SCHEMBL43822

SCHEMBL43822

[N-]=[N+]=CC(=O)OCc1cc(F)c(F)cc1F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.43
MMP1 P03956 2/20 0.43
MMP9 P14780 2/20 0.43
MMP12 P39900 2/20 0.43
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
DPP4 P27487 2/20 0.31
HCAR2 Q8TDS4 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC8 Q9BY41 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
SCHEMBL7125691 0.81 CYP1A2 (0.33) MMP2MMP1MMP9MMP12CYP1A2
SCHEMBL43429 0.78 CYP1A2 (0.37) MMP2MMP1MMP9MMP12CYP1A2
SCHEMBL21490293 0.78 MMP2 (0.46) MMP2MMP1MMP9MMP12DPP4
SCHEMBL43498 0.73 MMP1 (0.36) MMP2MMP1MMP9MMP12CYP1A2
SCHEMBL44032 0.72 MMP2 (0.49) MMP2MMP1MMP9MMP12DPP4
SCHEMBL28819331 0.69 MMP2 (0.47) MMP2MMP1MMP9MMP12CYP1A2
SCHEMBL43967 0.68 HCAR2 (0.59) CYP1A2CYP2C9CYP2C19HCAR2
SCHEMBL28220495 0.67 MMP2 (0.44) MMP2MMP1MMP9MMP12DPP4
SCHEMBL13005314 0.66 DPP4 (0.38) DPP4
SCHEMBL24901418 0.66 MMP2 (0.43) MMP2MMP1MMP9MMP12DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011157444-A1 FUNCTIONALIZED MATERIALS BY CATALYZED CARBENE COPOLYMERIZATION STICHTING DUTCH POLYMER INSTITUTE (NL) 2011-12-22 WO disclosed