SCHEMBL11854947

SCHEMBL11854947

CC(=O)N1CCCc2c1ccc(O)c2Br

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 14/20 0.49
▸ TP53 P04637 1/20 0.41
▸ PDK1 Q15118 2/20 0.40
▸ PDK2 Q15119 2/20 0.40
▸ PDK3 Q15120 2/20 0.40
▸ PDK4 Q16654 2/20 0.40
▸ PKM P14618 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ RECQL P46063 1/20 0.39

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
SCHEMBL11848935 0.84 PDK1 (0.40) PDK1PDK2PDK3PDK4
SCHEMBL11845972 0.82 PDK1 (0.39) PDK1PDK2PDK3PDK4
SCHEMBL11843585 0.81 ESR1 (0.41) PDK1PDK2PDK3PDK4
SCHEMBL15966371 0.78 NOTUM (0.62) NOTUM
SCHEMBL22312090 0.73 NOTUM (0.84) NOTUMPKMALDH1A1
SCHEMBL29187809 0.72 NOTUM (0.46) NOTUMTP53PDK1PDK2PDK3
SCHEMBL24011117 0.71 NOTUM (0.82) NOTUMTP53PKMKDM4EALDH1A1
SCHEMBL5517952 0.71 NOTUM (0.46) NOTUMTP53
SCHEMBL698648 0.71 NOTUM (0.62) NOTUMTP53PDK1PDK2PDK3
SCHEMBL7973371 0.71 NOTUM (0.60) NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7314693-B2 Electrophotographic photoconductor, electrophotographic process, electrophotographic apparatus, and process cartridge RICOH COMPANY, LTD. (JP) 2008-01-01 — — US disclosed
US-7314693-B2 Electrophotographic photoconductor, electrophotographic process, electrophotographic apparatus, and process cartridge RICOH COMPANY, LTD. (JP) 2008-01-01 — — US disclosed
US-3997542-A 1-(Halogenated-acetyl)-1,2,3,4-tetrahydro-6-quinolinols and esters thereof STERLING DRUG INC. (US) 1976-12-14 — — US disclosed
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