SCHEMBL4667682

SCHEMBL4667682

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

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.60
SMN1; SMN2 Q16637 2/20 0.49
EPHX1 P07099 1/20 0.48
TSHR P16473 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PKM P14618 1/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 6/20 0.47
KMT2A Q03164 3/20 0.47
ATM Q13315 1/20 0.47
LMNA P02545 1/20 0.47
MAPT P10636 3/20 0.46
GLA P06280 1/20 0.46
MEN1 O00255 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
SCHEMBL7170224 0.93 CYP19A1 (0.53) CYP19A1SMN1; SMN2EPHX1PKMHTT
SCHEMBL11418021 0.87 CYP19A1 (0.73) CYP19A1SMN1; SMN2EPHX1TSHRTDP1
SCHEMBL11407797 0.85 CYP19A1 (0.71) CYP19A1SMN1; SMN2EPHX1TSHRTDP1
SCHEMBL11405969 0.85 CYP19A1 (0.71) CYP19A1SMN1; SMN2EPHX1TSHRTDP1
SCHEMBL10654259 0.84 CYP19A1 (0.67) CYP19A1SMN1; SMN2EPHX1TSHRTDP1
SCHEMBL29358184 0.83 CYP19A1 (0.71) CYP19A1SMN1; SMN2EPHX1PKMHTT
SCHEMBL2204761 0.83 CYP19A1 (0.71) CYP19A1SMN1; SMN2EPHX1PKMHTT
SCHEMBL9581282 0.82 CYP19A1 (0.67) CYP19A1SMN1; SMN2EPHX1TSHRTDP1
SCHEMBL5718254 0.82 CYP19A1 (0.67) CYP19A1SMN1; SMN2EPHX1TSHRTDP1
SCHEMBL2129830 0.82 CYP19A1 (0.67) CYP19A1SMN1; SMN2EPHX1TSHRTDP1

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