SCHEMBL3380426

SCHEMBL3380426

CCCN(O)c1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MAPK1 P28482 3/20 0.47
TSHR P16473 3/20 0.47
HPGD P15428 2/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GPR35 Q9HC97 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
POLB P06746 1/20 0.46
ALDH5A1 P51649 1/20 0.44
ABAT P80404 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
USP2 O75604 1/20 0.43

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
SCHEMBL3378073 0.88 MAPK1 (0.50) ALDH1A1MAPK1TSHRHPGDTP53
SCHEMBL10750890 0.81 ALDH1A1 (0.44) ALDH1A1MAPK1TSHRHPGDTP53
SCHEMBL27898136 0.78 MAPK1 (0.53) ALDH1A1MAPK1TSHRHPGDTP53
SCHEMBL305116 0.77 MAPT (0.61) ALDH1A1MAPK1TSHRHPGDTP53
SCHEMBL8318666 0.75 ALDH1A1 (0.63) ALDH1A1MAPK1TSHRHPGDTP53
SCHEMBL1894245 0.75 GPR35 (0.50) ALDH1A1MAPK1TSHRSMN1; SMN2GPR35
SCHEMBL3053127 0.74 HCAR3 (0.49) ALDH1A1MAPK1TSHRHPGDGPR35
SCHEMBL19611360 0.73 ALDH1A1 (0.54) ALDH1A1MAPK1TSHRSMN1; SMN2POLB
SCHEMBL8372593 0.73 ALDH1A1 (0.56) ALDH1A1MAPK1TSHRHPGDTP53
SCHEMBL27598146 0.73 ALDH1A1 (0.51) ALDH1A1MAPK1TSHRHPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1429715-B1 HAIR COLOURING COMPOSITIONS BOOTS CO PLC (GB) 2010-11-24 EP claimed
US-7172632-B2 Hair coloring compositions THE BOOTS COMPANY, PLC (GB) 2007-02-06 US claimed
US-20050039269-A1 Hair colouring compositions BOOTS COMPANY PLC, THE (GB) 2005-02-24 US claimed
EP-1429715-A2 HAIR COLOURING COMPOSITIONS The Boots Company PLC (GB) 2004-06-23 EP claimed
EP-0835093-B1 HAIR DYE AGENTS WITH AT LEAST ONE CONDITIONER HANS SCHWARZKOPF & HENKEL GMBH (DE) 2004-03-10 EP claimed
WO-2003015734-A2 HAIR COLOURING COMPOSITIONS THE BOOTS COMPANY PLC (GB) 2003-02-27 WO claimed
EP-1429715-B1 HAIR COLOURING COMPOSITIONS BOOTS CO PLC (GB) 2010-11-24 EP disclosed
US-7172632-B2 Hair coloring compositions THE BOOTS COMPANY, PLC (GB) 2007-02-06 US disclosed
US-20050039269-A1 Hair colouring compositions BOOTS COMPANY PLC, THE (GB) 2005-02-24 US disclosed
EP-1429715-A2 HAIR COLOURING COMPOSITIONS The Boots Company PLC (GB) 2004-06-23 EP disclosed
EP-0835093-B1 HAIR DYE AGENTS WITH AT LEAST ONE CONDITIONER HANS SCHWARZKOPF & HENKEL GMBH (DE) 2004-03-10 EP disclosed
WO-2003015734-A2 HAIR COLOURING COMPOSITIONS THE BOOTS COMPANY PLC (GB) 2003-02-27 WO disclosed
EP-0835093-A1 HAIR DYE AGENTS WITH AT LEAST ONE CONDITIONER Hans Schwarzkopf GmbH & Co. KG (DE) 1998-04-15 EP disclosed
WO-1997001323-A1 HAIR DYE AGENTS WITH AT LEAST ONE CONDITIONER HANS SCHWARZKOPF GMBH (DE) 1997-01-16 WO disclosed