SCHEMBL4667681

SCHEMBL4667681

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

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 5/20 0.59
SMN1; SMN2 Q16637 2/20 0.48
EPHX1 P07099 1/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PKM P14618 1/20 0.47
HTT P42858 1/20 0.47
ALDH1A1 P00352 5/20 0.47
KMT2A Q03164 3/20 0.47
ATM Q13315 1/20 0.46
MAPT P10636 3/20 0.45
MEN1 O00255 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 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
SCHEMBL7170222 0.94 CYP19A1 (0.53) CYP19A1SMN1; SMN2EPHX1TSHRTDP1
SCHEMBL11418021 0.86 CYP19A1 (0.73) CYP19A1SMN1; SMN2EPHX1TSHRTDP1
SCHEMBL11407797 0.84 CYP19A1 (0.71) CYP19A1SMN1; SMN2EPHX1TSHRTDP1
SCHEMBL11405969 0.84 CYP19A1 (0.71) CYP19A1SMN1; SMN2EPHX1TSHRTDP1
SCHEMBL10654259 0.83 CYP19A1 (0.67) CYP19A1SMN1; SMN2EPHX1TSHRTDP1
SCHEMBL4667767 0.82 NPC1 (0.40) CYP19A1SMN1; SMN2TDP1ALDH1A1MAPT
SCHEMBL2204761 0.82 CYP19A1 (0.71) CYP19A1SMN1; SMN2EPHX1PKMHTT
SCHEMBL29358184 0.82 CYP19A1 (0.71) CYP19A1SMN1; SMN2EPHX1PKMHTT
SCHEMBL9581282 0.81 CYP19A1 (0.67) CYP19A1SMN1; SMN2EPHX1TSHRTDP1
SCHEMBL2129830 0.81 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