SCHEMBL20036261

SCHEMBL20036261

C=CCC(O)CCc1ccc(N=O)cc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 7/20 0.36
MMP13 P45452 6/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
MMP14 P50281 1/20 0.36
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
DPP4 P27487 1/20 0.31
STAT3 P40763 1/20 0.30
CYP2C19 P33261 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
SCHEMBL15944478 0.80 ESR1 (0.46) ALDH1A1DPP4CYP2C19
SCHEMBL3904160 0.78 DPP4 (0.45) MMP12MMP13MMP2MMP9MMP14
SCHEMBL3239288 0.78 DPP4 (0.45) MMP12MMP13MMP2MMP9MMP14
SCHEMBL252676 0.78 DPP4 (0.45) MMP12MMP13MMP2MMP9MMP14
SCHEMBL13841298 0.70 DPP4 (0.42) MMP12MMP13MMP2MMP9MMP14
SCHEMBL14339700 0.69 ALDH1A1 (0.47) MMP2ALDH1A1HSD17B10
SCHEMBL18214448 0.67 CYP3A4 (0.56)
SCHEMBL7092136 0.67 TRPA1 (0.53)
SCHEMBL8479597 0.67 CHRNA7 (0.46)
SCHEMBL26801174 0.67 CA2 (0.52) ALDH1A1HSD17B10

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
EP-2954037-B1 REDUCED SODIUM FOOD PRODUCTS GEN MILLS INC (US) 2018-04-11 EP disclosed