SCHEMBL8349887

SCHEMBL8349887

COc1cccc(CNCCNC(=O)c2ccccc2O)c1O.[Mn]

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.55
▸ HPGD P15428 4/20 0.51
▸ MPO P05164 2/20 0.50
▸ HTR2A P28223 1/20 0.48
▸ HTR2C P28335 1/20 0.48
▸ KDM4E B2RXH2 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ GAA P10253 1/20 0.47
▸ RCE1 Q9Y256 1/20 0.47
▸ NAAA Q02083 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ APP P05067 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ BCHE P06276 1/20 0.45
▸ CHRM2 P08172 1/20 0.45
▸ ACHE P22303 1/20 0.45
▸ SLC6A5 Q9Y345 1/20 0.44

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
SCHEMBL8347813 0.82 CA12 (0.64) HPGDMPOKDM4EALDH1A1NAAA
SCHEMBL8344108 0.81 CA12 (0.66) HPGDMPOKDM4EALDH1A1NAAA
SCHEMBL8349883 0.81 ATM (0.54) ATMHPGDKDM4EALDH1A1GAA
SCHEMBL8346506 0.79 SLC6A5 (0.52) HPGDKDM4EALDH1A1GAATP53
SCHEMBL29207914 0.76 HTR2A (0.57) MPOHTR2AHTR2CKDM4EALDH1A1
SCHEMBL8345464 0.75 MAPT (0.61) HPGDKDM4EALDH1A1GAAMEN1
SCHEMBL8346286 0.75 HTT (0.67) HPGDMPOKDM4EALDH1A1GAA
SCHEMBL25609403 0.74 HTR2A (0.61) MPOHTR2AHTR2CALDH1A1GAA
SCHEMBL5707054 0.73 HTT (0.69) HPGDMPOKDM4EALDH1A1GAA
SCHEMBL31119120 0.73 HTT (0.69) HPGDMPOKDM4EALDH1A1GAA

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-5969171-A Metal complexes as bleach activators CLARIANT GMBH (DE) 1999-10-19 — — US disclosed
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