SCHEMBL3380429

SCHEMBL3380429

O=[N+]([O-])c1cc(NCCCO)ccc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.58
ALDH5A1 P51649 1/20 0.47
ABAT P80404 1/20 0.47
ALDH1A1 P00352 6/20 0.47
MAPK1 P28482 2/20 0.47
HPGD P15428 2/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 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
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
BCL6 P41182 2/20 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
SCHEMBL3378074 0.91 EGFR (0.61) EGFRALDH5A1ABATALDH1A1MAPK1
SCHEMBL8645160 0.85 ALDH1A1 (0.57) ALDH1A1TSHRSMN1; SMN2POLBMAPT
SCHEMBL8643871 0.85 LMNA (0.52) ALDH1A1MAPK1SMN1; SMN2POLBCA1
SCHEMBL7031913 0.82 ALDH1A1 (0.61) ALDH1A1TSHRSMN1; SMN2POLBMAPT
SCHEMBL8645124 0.82 ALDH1A1 (0.61) ALDH1A1TSHRSMN1; SMN2POLBMAPT
SCHEMBL4313457 0.81 ALDH1A1 (0.43) EGFRALDH5A1ABATALDH1A1MAPK1
SCHEMBL109663 0.81 HTT (0.58) ALDH1A1MAPK1TSHRSMN1; SMN2MAPT
SCHEMBL14003620 0.81 ALDH1A1 (0.56) ALDH1A1MAPK1TSHRSMN1; SMN2L3MBTL1
SCHEMBL4655115 0.80 ALDH1A1 (0.56) ALDH1A1MAPK1TSHRSMN1; SMN2L3MBTL1
SCHEMBL1814295 0.80 ALDH1A1 (0.55) EGFRALDH1A1TSHRSMN1; SMN2MAPT

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 15 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
CN-1189094-A Hair care products with at least one conditioner SCHWARZKOPF GMBH HANS (DE) 1998-07-29 CN 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