SCHEMBL8893376

SCHEMBL8893376

Cc1ncc(COc2ccc(C3(C)OC(=O)N(Nc4ccccc4)C3=O)cc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 3/20 0.41
MMP2 P08253 3/20 0.38
MMP13 P45452 1/20 0.38
MMP9 P14780 2/20 0.36
ADAM17 P78536 1/20 0.36
NPC1 O15118 4/20 0.34
RAB9A P51151 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
ADK P55263 1/20 0.33
LMNA P02545 2/20 0.33
MMP1 P03956 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 1/20 0.33
AR P10275 1/20 0.33
HPGD P15428 1/20 0.33
GRM2 Q14416 1/20 0.32

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
SCHEMBL8902452 0.89 SIRT1 (0.39) SIRT1MMP2MMP13MMP9ADAM17
SCHEMBL8902040 0.87 SIRT1 (0.38) SIRT1MMP2MMP13MMP9ADAM17
SCHEMBL9545818 0.85 MAOB (0.44) SIRT1MMP2MMP13MMP9MMP1
SCHEMBL9545815 0.85 MAOB (0.42) SIRT1MMP2MMP13ADAM17MMP1
SCHEMBL8892678 0.82 SIRT1 (0.36) SIRT1MMP2MMP13ADAM17RAB9A
SCHEMBL8903156 0.82 L3MBTL1 (0.46) SIRT1MMP2MMP13RAB9AL3MBTL1
SCHEMBL9207805 0.82 RAB9A (0.40) SIRT1MMP2MMP13NPC1RAB9A
SCHEMBL9202236 0.82 SIRT1 (0.37) SIRT1MMP2MMP13MMP9ADAM17
SCHEMBL8892271 0.82 LMNA (0.52) RAB9ASMN1; SMN2L3MBTL1MAPTLMNA
SCHEMBL8893717 0.81 SIRT1 (0.36) SIRT1MMP2MMP13MMP9ADAM17

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