SCHEMBL9545818

SCHEMBL9545818

Cc1cccc(COc2ccc(C3(C)OC(=O)N(Nc4ccccc4)C3=O)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.44
NR1H4 Q96RI1 2/20 0.44
SIRT1 Q96EB6 2/20 0.42
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
ACHE P22303 1/20 0.41
FFAR1 O14842 2/20 0.40
MAOA P21397 1/20 0.40
MMP2 P08253 2/20 0.39
MMP13 P45452 1/20 0.39
GRM5 P41594 1/20 0.39
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38

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
Bromide SCHEMBL9545828 0.90 MAOB (0.42) MAOBNR1H4SIRT1OPRM1OPRD1
SCHEMBL8893376 0.85 SIRT1 (0.41) MAOBSIRT1MMP2MMP13MMP1
SCHEMBL9545815 0.84 MAOB (0.42) MAOBSIRT1OPRM1OPRD1ACHE
SCHEMBL9207805 0.83 RAB9A (0.40) MAOBSIRT1ACHEFFAR1MAOA
SCHEMBL8892271 0.81 LMNA (0.52)
SCHEMBL8902452 0.80 SIRT1 (0.39) SIRT1MMP2MMP13MMP1MMP9
SCHEMBL9202236 0.79 SIRT1 (0.37) SIRT1MMP2MMP13MMP1MMP9
SCHEMBL8892119 0.79 ADAM17 (0.36) MAOBSIRT1MAOAMMP2MMP13
SCHEMBL8902040 0.79 SIRT1 (0.38) NR1H4SIRT1FFAR1MMP2MMP13
Famoxadone SCHEMBL673443 0.79 MMP2 (0.42) SIRT1MMP2MMP13MMP1MMP9

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