SCHEMBL11753637

SCHEMBL11753637

CC(C)(CO)Oc1ccc(COc2ccc(Br)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 7/20 0.55
▸ APP P05067 1/20 0.54
▸ RXRA P19793 1/20 0.53
▸ RXRB P28702 1/20 0.53
▸ FFAR1 O14842 2/20 0.50
▸ FFAR4 Q5NUL3 1/20 0.50
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA7 P43166 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ MAOA P21397 4/20 0.47
▸ PPARA Q07869 3/20 0.46
▸ PPARG P37231 4/20 0.46
▸ MMP2 P08253 1/20 0.45
▸ MMP9 P14780 1/20 0.45
▸ MMP14 P50281 1/20 0.45
▸ ADAM17 P78536 1/20 0.45
▸ PPARD Q03181 1/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL1892567 0.87 ALDH1A1 (0.41) MAOBMAOAPPARAPPARGPPARD
SCHEMBL11750068 0.84 MAOB (0.55) MAOBAPPFFAR1CA12CA1
SCHEMBL11749176 0.84 MAOB (0.55) MAOBAPPMAOAPPARG
SCHEMBL11753227 0.81 PPARG (0.50) MAOBAPPRXRARXRBFFAR1
SCHEMBL11758606 0.80 MAOB (0.58) MAOBAPPRXRARXRBFFAR1
SCHEMBL2399080 0.79 APP (0.80) MAOBAPPRXRARXRBFFAR1
SCHEMBL11737620 0.79 PPARG (0.72) MAOBRXRARXRBFFAR1FFAR4
SCHEMBL16295189 0.78 APP (0.67) MAOBAPPRXRARXRBFFAR1
SCHEMBL14112769 0.77 APP (0.70) MAOBAPPRXRARXRBFFAR1
SCHEMBL3618116 0.76 APP (0.69) MAOBAPPRXRARXRBFFAR1

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-4051173-A Phenoxyalkanol derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-09-27 — — US disclosed
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