SCHEMBL7379853

SCHEMBL7379853

CCCCCc1cc(OCC(C)=O)ccc1OCc1cccc(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 4/20 0.50
▸ MAOB P27338 4/20 0.49
▸ MAOA P21397 3/20 0.49
▸ MTNR1B P49286 2/20 0.48
▸ FFAR1 O14842 1/20 0.46
▸ FFAR4 Q5NUL3 1/20 0.46
▸ PPARG P37231 1/20 0.46
▸ PPARA Q07869 1/20 0.46

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
SCHEMBL7372627 0.82 ENPP2 (0.49) FFAR1FFAR4
SCHEMBL7375231 0.80 — —
SCHEMBL9627231 0.79 MAOB (0.74) MAOBMAOAFFAR1
SCHEMBL3703276 0.78 — —
SCHEMBL3509295 0.75 MAOB (0.42) MAOBMAOA
SCHEMBL7377072 0.73 TSHR (0.58) MTNR1AMTNR1BPPARGPPARA
SCHEMBL11280610 0.71 WDR5 (0.60) MAOBMAOAPPARG
SCHEMBL9626424 0.69 MAOB (0.69) MAOBMAOAFFAR1FFAR4
SCHEMBL11359239 0.69 PTGDR2 (0.52) —
SCHEMBL11138297 0.69 PTGDR2 (0.52) —

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
US-5380755-A Monoamine oxidase inhibitors THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-01-10 — — US disclosed
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