SCHEMBL28212841

SCHEMBL28212841

CCCCCCCCCCCCCCCC1(CCCCCCCCCCCCCC)COC1=O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.38
PRKCA P17252 6/20 0.36
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
MMP8 P22894 2/20 0.36
MMP13 P45452 2/20 0.36
DUSP3 P51452 1/20 0.34
NAAA Q02083 1/20 0.34

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
SCHEMBL28212843 1.00 SIRT2 (0.38) SIRT2PRKCAMMP2MMP9MMP8
SCHEMBL28212845 1.00 SIRT2 (0.38) SIRT2PRKCAMMP2MMP9MMP8
SCHEMBL16540892 0.96 SIRT2 (0.35) SIRT2PRKCAMMP2MMP9MMP8
SCHEMBL28213248 0.85 CPT1A (0.43) SIRT2PRKCAMMP9
SCHEMBL7936870 0.84 ELANE (0.34) PRKCA
SCHEMBL9734677 0.84 SIRT2 (0.35) SIRT2PRKCA
SCHEMBL9734682 0.84 SIRT2 (0.35) SIRT2PRKCA
SCHEMBL11657987 0.78 SIRT2 (0.37) SIRT2NAAA
SCHEMBL8163645 0.77 SIRT2 (0.40) SIRT2PRKCANAAA
SCHEMBL17468384 0.76 MMP2 (0.39) SIRT2MMP2MMP9MMP8MMP13

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-107949608-A Hydrophobic combination 詹森药业有限公司 2018-04-20 CN disclosed