SCHEMBL4667768

SCHEMBL4667768

CC[N+](C)(CC)CCOc1cc(N)ccc1NC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
ROCK2 O75116 1/20 0.39
BRD4 O60885 6/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 1/20 0.38
CYP19A1 P11511 1/20 0.37
MAPT P10636 1/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL7166039 0.91 ALDH1A1 (0.41) GAAROCK2BRD4ALDH1A1SMN1; SMN2
SCHEMBL4521276 0.81 ALDH1A1 (0.56) GAABRD4TDP1ALDH1A1SMN1; SMN2
SCHEMBL30847362 0.81 ALDH1A1 (0.56) GAABRD4TDP1ALDH1A1SMN1; SMN2
SCHEMBL4667682 0.81 CYP19A1 (0.60) TDP1ALDH1A1SMN1; SMN2LMNACYP19A1
SCHEMBL25692523 0.79 MAPK8 (0.44) GAAROCK2BRD4TDP1SMN1; SMN2
SCHEMBL6157997 0.79 ALDH1A1 (0.48) GAATDP1ALDH1A1LMNAMAPT
Iodide SCHEMBL7740639 0.78 ALDH1A1 (0.47) GAATDP1ALDH1A1LMNAMAPT
SCHEMBL4667767 0.78 NPC1 (0.40) GAAROCK2BRD4TDP1ALDH1A1
SCHEMBL4667845 0.77 MAPT (0.46) GAAALDH1A1LMNAMAPTCYP1A2
Hydrochloric Acid SCHEMBL5232233 0.76 MAPT (0.45) GAAALDH1A1LMNAMAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1203762-B1 Cationic oxidation bases, their use for oxidation dyeing of keratin fibres, dyeing compositions and dyeing methods OREAL (FR) 2008-07-02 EP disclosed
EP-0968171-B1 CATIONIC OXIDATION BASES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS AND DYEING METHODS OREAL (FR) 2003-10-08 EP disclosed
EP-1203762-A2 Cationic oxidation bases, their use for oxidation dyeing of keratin fibres, dyeing compositions and dyeing methods L'OREAL (FR) 2002-05-08 EP disclosed
EP-0968171-A1 NOVEL CATIONIC OXIDATION BASES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS AND DYEING METHODS L'OREAL (FR) 2000-01-05 EP disclosed
WO-1999003819-A1 NOVEL CATIONIC OXIDATION BASES, THEIR USE FOR OXIDATION DYEING OF KERATIN FIBRES, DYEING COMPOSITIONS AND DYEING METHODS L'OREAL (FR) 1999-01-28 WO disclosed