SCHEMBL7258755

SCHEMBL7258755

C=CCOc1cc(O)ccc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.40
MGAM O43451 4/20 0.40
SI P14410 4/20 0.40
MGAM2 Q2M2H8 4/20 0.40
TSHR P16473 3/20 0.40
HPGD P15428 3/20 0.39
HSD17B10 Q99714 3/20 0.39
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
MAPT P10636 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LIG1 P18858 1/20 0.37
MAOB P27338 2/20 0.37
ALDH2 P05091 1/20 0.36
MAOA P21397 1/20 0.36
CA12 O43570 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
SCHEMBL6707110 0.83 MAOB (0.50) GAAMGAMSIMGAM2TSHR
SCHEMBL5665856 0.83 ALDH1A1 (0.41) GAATSHRHPGDHSD17B10MAPK1
SCHEMBL30223652 0.81 ALDH1A1 (0.58) GAATSHRHPGDHSD17B10MAPK1
SCHEMBL28961155 0.81 ALDH1A1 (0.58) GAATSHRHPGDHSD17B10MAPK1
SCHEMBL3972054 0.79 GAA (0.43) GAAMGAMSIMGAM2TSHR
SCHEMBL21323031 0.79 GAA (0.43) GAAMGAMSIMGAM2TSHR
SCHEMBL21540073 0.79 ALDH1A1 (0.55) GAAHPGDHSD17B10MAPK1ALDH1A1
SCHEMBL1341152 0.79 CYP3A4 (0.42) GAATSHRHPGDHSD17B10MAPK1
SCHEMBL3885806 0.79 HTR2C (0.49) GAATSHRHPGDHSD17B10MAPK1
SCHEMBL2518848 0.79 GAA (0.46) GAAMGAMSIMGAM2TSHR

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
US-6635241-B1 Applying aminophenol derivative to keratinous fiber as primary intermediate, oxidizing to color fiber HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-10-21 US disclosed
EP-1229891-A1 AGENT FOR COLOURING KERATIN CONTAINING FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2002-08-14 EP disclosed
WO-2001034105-A1 AGENT FOR COLOURING KERATIN CONTAINING FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-05-17 WO disclosed
EP-0883598-A1 AMINOPHENOL DERIVATIVES AND THEIR USE IN OXIDATIVE HAIR DYES Henkel Kommanditgesellschaft auf Aktien (DE) 1998-12-16 EP disclosed
WO-1997031886-A1 AMINOPHENOL DERIVATIVES AND THEIR USE IN OXIDATIVE HAIR DYES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1997-09-04 WO disclosed