SCHEMBL2928435

SCHEMBL2928435

CC[N+](C)(CC)CCOc1ccc(N)cc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.44
MAPT P10636 3/20 0.44
KDM4E B2RXH2 2/20 0.44
CASP1 P29466 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.44
CASP7 P55210 1/20 0.44
KMT2A Q03164 1/20 0.44
ATM Q13315 1/20 0.44
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA7 P36544 1/20 0.38
TSHR P16473 3/20 0.37
LMNA P02545 2/20 0.36
JAK2 O60674 1/20 0.36
CHRM1 P11229 3/20 0.35

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 SCHEMBL5561993 0.98 GAA (0.43) GAAMAPTKDM4ECASP1ALDH1A1
SCHEMBL2930159 0.84 GAA (0.63) GAAMAPTKDM4ECASP1ALDH1A1
Hydrochloric Acid SCHEMBL5566013 0.83 GAA (0.61) GAAMAPTKDM4ECASP1ALDH1A1
Hydrochloric Acid SCHEMBL7739871 0.82 GAA (0.64) GAAMAPTKDM4ECASP1ALDH1A1
SCHEMBL4667845 0.81 MAPT (0.46) GAAMAPTKDM4ECASP1ALDH1A1
SCHEMBL9794555 0.80 MAPT (0.66) GAAMAPTKDM4ECASP1ALDH1A1
Water SCHEMBL2921450 0.80 MAPT (0.45) GAAMAPTKDM4ECASP1ALDH1A1
Hydrochloric Acid SCHEMBL5232233 0.80 MAPT (0.45) GAAMAPTKDM4ECASP1ALDH1A1
Water SCHEMBL7164888 0.79 MAPT (0.44) GAAMAPTKDM4ECASP1ALDH1A1
Hydrochloric Acid SCHEMBL7171240 0.78 MAPT (0.46) GAAMAPTKDM4ECASP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1064252-B1 OXIDATION DYEING COMPOSITIONS CONTAINING A CATIONIC COUPLING AGENT, NOVEL CATIONIC COUPLING AGENTS OREAL (FR) 2005-06-15 EP claimed
EP-1064252-A1 OXIDATION DYEING COMPOSITIONS CONTAINING A CATIONIC COUPLING AGENT, NOVEL CATIONIC COUPLING AGENTS L'OREAL (FR) 2001-01-03 EP claimed
WO-1999048856-A1 OXIDATION DYEING COMPOSITIONS CONTAINING A CATIONIC COUPLING AGENT, NOVEL CATIONIC COUPLING AGENTS L'OREAL (FR) 1999-09-30 WO claimed
EP-1728500-B1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolon derivative and a cationic oxidation dye OREAL (FR) 2010-01-27 EP disclosed
EP-1728500-A1 Composition for dyeing keratinic fibres comprising a diamino-N,N-dihydro-pyrazolon derivative and a cationic oxidation dye L'OREAL (FR) 2006-12-06 EP disclosed
CN-1678285-A Dyeing method for porous material CIBA SC HOLDING AG (CH) 2005-10-05 CN disclosed
EP-1064252-B1 OXIDATION DYEING COMPOSITIONS CONTAINING A CATIONIC COUPLING AGENT, NOVEL CATIONIC COUPLING AGENTS OREAL (FR) 2005-06-15 EP disclosed
EP-1073407-B1 HAIR DYEING METHOD USING AN ALIPHATIC CATIONIC AMINE AND A ALDEHYDE OR KETONE ORQUINONE OR DI-IMINO-ISOINDOLINE OR 3-AMINO-ISO-INDOLONE DERIVATIVES OREAL (FR) 2005-04-20 EP disclosed
EP-1064252-A1 OXIDATION DYEING COMPOSITIONS CONTAINING A CATIONIC COUPLING AGENT, NOVEL CATIONIC COUPLING AGENTS L'OREAL (FR) 2001-01-03 EP disclosed
WO-1999048856-A1 OXIDATION DYEING COMPOSITIONS CONTAINING A CATIONIC COUPLING AGENT, NOVEL CATIONIC COUPLING AGENTS L'OREAL (FR) 1999-09-30 WO disclosed