SCHEMBL28810883

SCHEMBL28810883

CCC(C)(C(=O)ON1CC=C(c2ccc(C#CC#CCCCO)c(F)c2)CC1)S(C)(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.33
MMP3 P08254 3/20 0.33

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
SCHEMBL28810877 0.84 MMP2 (0.33) MMP2MMP3
SCHEMBL28811901 0.84 GABRP (0.34) MMP2MMP3
SCHEMBL19989672 0.82 MMP2 (0.35) MMP2MMP3
SCHEMBL19989574 0.81 MMP2 (0.37) MMP2MMP3
SCHEMBL28811381 0.81 DRD2 (0.33) MMP2MMP3
SCHEMBL19989607 0.80 NAMPT (0.44)
SCHEMBL29756639 0.80 NAMPT (0.44)
SCHEMBL19989579 0.79 MMP2 (0.38) MMP2MMP3
SCHEMBL28810914 0.77 MMP2 (0.33) MMP2MMP3
SCHEMBL28947572 0.77 MMP2 (0.38) MMP2MMP3

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
CN-110088087-B Tetrahydropyridine derivatives and their use as antibacterial agents 东亚ST株式会社 2022-08-09 CN disclosed