SCHEMBL27737641

SCHEMBL27737641

Cc1ccc(N(C)CC(O)CO)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
TSHR P16473 2/20 0.42
ALDH1A1 P00352 6/20 0.42
CYP3A4 P08684 1/20 0.42
RECQL P46063 1/20 0.42
HTT P42858 1/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPK1 P28482 2/20 0.37
GRM8 O00222 1/20 0.37
GRM6 O15303 1/20 0.37
GRM4 Q14833 1/20 0.37
PKM P14618 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 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
SCHEMBL109327 0.83 MAPT (0.46) MAPTTSHRALDH1A1RECQLHTT
SCHEMBL3924109 0.75 MAPT (0.54) MAPTTSHRALDH1A1CYP3A4RECQL
SCHEMBL2038302 0.74 MAPT (0.73) MAPTTSHRALDH1A1CYP3A4RECQL
SCHEMBL2056734 0.73 TSHR (0.55) MAPTTSHRALDH1A1CYP3A4RECQL
SCHEMBL14174537 0.73 ALDH1A1 (0.62) MAPTTSHRALDH1A1CYP3A4RECQL
SCHEMBL8893806 0.72 ALDH1A1 (0.45) MAPTTSHRALDH1A1RECQLHTT
SCHEMBL4592723 0.71 ALDH1A1 (0.35) TSHRALDH1A1CYP3A4RECQLKDM4E
SCHEMBL8632555 0.71 ALDH1A1 (0.41) MAPTTSHRALDH1A1HTTKDM4E
SCHEMBL11765935 0.71 TSHR (0.57) MAPTTSHRALDH1A1CYP3A4RECQL
SCHEMBL11765920 0.71 TSHR (0.57) MAPTTSHRALDH1A1CYP3A4RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101384303-A Coloring agent for coloring keratin fibers WELLA AG (US) 2009-03-11 CN disclosed
CN-101374495-A Colorant for keratin fibers PROCTER & GAMBLE (US) 2009-02-25 CN disclosed