SCHEMBL11526930

SCHEMBL11526930

CCN(CC)CCOc1ccc(C(=O)CC(C)(c2ccccc2)c2ccccc2)c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 5/20 0.50
▸ CHRM2 P08172 5/20 0.46
▸ CHRM1 P11229 4/20 0.46
▸ CHRM3 P20309 3/20 0.46
▸ CHRM4 P08173 2/20 0.46
▸ CHRM5 P08912 2/20 0.46
▸ BCHE P06276 2/20 0.46
▸ ACHE P22303 1/20 0.46
▸ THRA P10827 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ KMT2A Q03164 3/20 0.45
▸ CYP2D6 P10635 3/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP2C9 P11712 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ MAPK1 P28482 1/20 0.45

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
Hydrochloric Acid SCHEMBL11529376 0.99 MAOB (0.49) MAOBCHRM2CHRM1CHRM3CHRM4
SCHEMBL11526925 0.84 ESR1 (0.47) MAOBCHRM2CHRM1CHRM3CHRM4
Hydrochloric Acid SCHEMBL11529373 0.83 ESR1 (0.46) MAOBCHRM2CHRM1CHRM3CHRM4
SCHEMBL9357458 0.81 MAOB (0.61) MAOBTHRATHRBKMT2AMAPT
SCHEMBL11529638 0.80 CHRM2 (0.46) CHRM2CHRM1CHRM3CHRM4CHRM5
Hydrochloric Acid SCHEMBL11528326 0.80 CHRM2 (0.46) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL11527526 0.77 CHRM2 (0.46) CHRM2CHRM1CHRM3CHRM4CHRM5
Hydrochloric Acid SCHEMBL11528322 0.77 CHRM2 (0.45) CHRM2CHRM1CHRM3CHRM4CHRM5
SCHEMBL30969307 0.76 MAOB (0.61) MAOBTHRATHRBKMT2AMAPT
SCHEMBL11530074 0.75 THRA (0.47) CHRM2CHRM1CHRM3CHRM4CHRM5

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-4140770-A Benzoylethers and processes for their production A. NATTERMANN & CIE. GMBH (DE) 1979-02-20 — — US disclosed
Send feedback