SCHEMBL8204834

SCHEMBL8204834

C=CCN(CC)c1ccc(N)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.67
TDP1 Q9NUW8 4/20 0.67
CYP3A4 P08684 3/20 0.67
MAPK1 P28482 3/20 0.67
L3MBTL1 Q9Y468 3/20 0.67
GFER P55789 3/20 0.67
PSMD14 O00487 1/20 0.67
TSHR P16473 1/20 0.67
RECQL P46063 1/20 0.67
ALDH3A1 P30838 1/20 0.42
ALDH1A3 P47895 1/20 0.42
ESRRG P62508 1/20 0.41
CNR2 P34972 2/20 0.40
CNR1 P21554 1/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
S100B P04271 1/20 0.39
KDM4E B2RXH2 5/20 0.38
GAA P10253 3/20 0.38
MAPT P10636 5/20 0.38

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
SCHEMBL127344 0.88 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4MAPK1L3MBTL1
SCHEMBL7590353 0.86 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4MAPK1L3MBTL1
SCHEMBL11218745 0.85 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4MAPK1L3MBTL1
SCHEMBL13700755 0.82 CNR2 (0.55) ALDH1A1TDP1CYP3A4MAPK1L3MBTL1
SCHEMBL460361 0.81 CYP3A4 (0.47) ALDH1A1TDP1CYP3A4MAPK1L3MBTL1
SCHEMBL8467252 0.81 ALDH1A1 (1.00) ALDH1A1TDP1CYP3A4MAPK1L3MBTL1
SCHEMBL33781 0.81 ALDH1A1 (1.00) ALDH1A1TDP1CYP3A4MAPK1L3MBTL1
SCHEMBL11008780 0.81 ALDH1A1 (0.67) ALDH1A1TDP1CYP3A4MAPK1L3MBTL1
SCHEMBL20852100 0.80 TSHR (0.53) ALDH1A1TDP1CYP3A4MAPK1L3MBTL1
SCHEMBL1052898 0.80 TSHR (0.53) ALDH1A1TDP1CYP3A4MAPK1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0918503-A4 HAIR COLORING COMPOSITIONS PROCTER & GAMBLE (US) 2000-07-12 EP disclosed
EP-0918503-A1 HAIR COLORING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1999-06-02 EP disclosed
EP-0876134-A4 HAIR COLORING COMPOSITIONS PROCTER & GAMBLE (US) 1999-01-07 EP disclosed
EP-0876134-A1 HAIR COLORING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1998-11-11 EP disclosed
WO-1997024105-A1 HAIR COLORING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-07-10 WO disclosed
WO-1997024107-A1 HAIR COLORING COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-07-10 WO disclosed