SCHEMBL8902452

SCHEMBL8902452

CC1(c2ccc(OCc3cnc(C(F)(F)F)nc3)cc2)OC(=O)N(Nc2ccccc2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 3/20 0.39
ADAM17 P78536 3/20 0.36
MMP2 P08253 3/20 0.35
MMP9 P14780 2/20 0.35
MMP13 P45452 1/20 0.35
AR P10275 1/20 0.32
PPARA Q07869 1/20 0.32
MAPT P10636 1/20 0.32
PLAT P00750 1/20 0.32
ADK P55263 1/20 0.32
BACE1 P56817 1/20 0.32
BACE2 Q9Y5Z0 1/20 0.32
MMP1 P03956 1/20 0.31
FAAH O00519 1/20 0.31
TP53 P04637 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL8893376 0.89 SIRT1 (0.41) SIRT1ADAM17MMP2MMP9MMP13
SCHEMBL8902040 0.84 SIRT1 (0.38) SIRT1ADAM17MMP2MMP9MMP13
SCHEMBL9545818 0.80 MAOB (0.44) SIRT1MMP2MMP9MMP13MMP1
SCHEMBL9545815 0.79 MAOB (0.42) SIRT1ADAM17MMP2MMP13MMP1
SCHEMBL8892678 0.79 SIRT1 (0.36) SIRT1ADAM17MMP2MMP13MAPT
SCHEMBL8903156 0.79 L3MBTL1 (0.46) SIRT1MMP2MMP13MAPTMEN1
SCHEMBL9202236 0.79 SIRT1 (0.37) SIRT1ADAM17MMP2MMP9MMP13
SCHEMBL8902120 0.79 SPHK2 (0.49) PPARA
SCHEMBL8893717 0.78 SIRT1 (0.36) SIRT1ADAM17MMP2MMP9MMP13
SCHEMBL8892271 0.77 LMNA (0.52) MAPT

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-1997038995-A1 FUNGICIDAL OXAZOLIDINEDIONE DERIVATIVES ZENECA LIMITED (GB) 1997-10-23 WO disclosed