SCHEMBL4667767

SCHEMBL4667767

CCC(N)(CC)CCOc1cc(N)ccc1NC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MAPT P10636 2/20 0.39
ROCK2 O75116 1/20 0.39
BRD4 O60885 6/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.38
CYP19A1 P11511 1/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL7166038 0.93 NPC1 (0.39) NPC1GAASMN1; SMN2MAPTROCK2
SCHEMBL4667681 0.82 CYP19A1 (0.59) SMN1; SMN2MAPTALDH1A1TDP1CYP19A1
SCHEMBL30847362 0.81 ALDH1A1 (0.56) NPC1GAASMN1; SMN2MAPTBRD4
SCHEMBL4521276 0.81 ALDH1A1 (0.56) NPC1GAASMN1; SMN2MAPTBRD4
SCHEMBL6157990 0.80 ALDH1A1 (0.50) GAAMAPTCYP1A2CYP2C9CYP2C19
SCHEMBL25692523 0.79 MAPK8 (0.44) NPC1GAASMN1; SMN2MAPTROCK2
SCHEMBL4667768 0.78 GAA (0.40) NPC1GAASMN1; SMN2MAPTROCK2
SCHEMBL7170222 0.78 CYP19A1 (0.53) SMN1; SMN2MAPTALDH1A1TDP1CYP19A1
SCHEMBL7163970 0.77 LMNA (0.49) NPC1GAASMN1; SMN2MAPTBRD4
SCHEMBL4667844 0.77 ALDH1A1 (0.46) GAAMAPTROCK2CYP1A2CYP2C9

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