SCHEMBL9545815

SCHEMBL9545815

Cc1ccccc1COc1ccc(C2(C)OC(=O)N(Nc3ccccc3)C2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.42
FFAR1 O14842 3/20 0.40
S1PR1 P21453 1/20 0.39
S1PR5 Q9H228 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
ACHE P22303 1/20 0.38
MMP1 P03956 5/20 0.35
ADAM17 P78536 4/20 0.35
MMP13 P45452 3/20 0.35
KMT2A Q03164 2/20 0.35
SLC26A4 O43511 1/20 0.35
MMP2 P08253 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL9202236 0.89 SIRT1 (0.37) SIRT1MMP1ADAM17MMP13KMT2A
SCHEMBL8893376 0.85 SIRT1 (0.41) MAOBSIRT1MMP1ADAM17MMP13
SCHEMBL9545818 0.84 MAOB (0.44) MAOBFFAR1OPRM1OPRD1SIRT1
SCHEMBL9207805 0.83 RAB9A (0.40) MAOBFFAR1SIRT1ACHEMMP13
SCHEMBL8892271 0.82 LMNA (0.52) ALDH1A1
Famoxadone SCHEMBL673443 0.82 MMP2 (0.42) SIRT1MMP1ADAM17MMP13KMT2A
Famoxadone SCHEMBL63351 0.82 MMP2 (0.42) SIRT1MMP1ADAM17MMP13KMT2A
Famoxadone SCHEMBL14128616 0.82 MMP2 (0.42) SIRT1MMP1ADAM17MMP13KMT2A
SCHEMBL8893717 0.82 SIRT1 (0.36) SIRT1ADAM17MMP13MMP2ALDH1A1
SCHEMBL8466140 0.81 L3MBTL1 (0.42) SIRT1KMT2AMEN1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993022299-A1 FUNGICIDAL OXAZOLIDINONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-11-11 WO claimed
WO-1993022299-A1 FUNGICIDAL OXAZOLIDINONES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1993-11-11 WO disclosed