SCHEMBL8108406

SCHEMBL8108406

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

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.51
ALDH1A1 P00352 5/20 0.48
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
VCAM1 P19320 2/20 0.46
KMT2A Q03164 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 3/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL1984158 0.88 HSD17B10 (0.51) HSD17B10ALDH1A1GAAMAPTPOLB
SCHEMBL170664 0.80 HSD17B10 (0.46) HSD17B10ALDH1A1GAAMAPTVCAM1
SCHEMBL7809597 0.79 ALDH1A1 (0.52) ALDH1A1GAAMAPTPOLBLMNA
SCHEMBL110420 0.79 ALDH1A1 (0.52) ALDH1A1GAAMAPTPOLBKMT2A
SCHEMBL7472206 0.78 ALDH1A1 (0.55) ALDH1A1GAAMAPTPOLBKMT2A
SCHEMBL2088798 0.78 ALDH1A1 (0.51) ALDH1A1GAAMAPTPOLBKMT2A
SCHEMBL9686404 0.78 MAPT (0.51) HSD17B10ALDH1A1GAAMAPTPOLB
SCHEMBL6814695 0.76 ALDH1A1 (0.67) HSD17B10ALDH1A1GAAMAPTPOLB
SCHEMBL9696161 0.76 ALDH1A1 (0.55) HSD17B10ALDH1A1GAAMAPTPOLB
SCHEMBL9714022 0.75 HSD17B10 (0.60) HSD17B10ALDH1A1MAPTVCAM1KMT2A

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-0664692-B1 AQUEOUS HAIR-FIXING AGENT IN THE FORM OF A SPRAYABLE HIGHLY VISCOUS GEL WELLA AG (DE) 2000-10-25 EP disclosed
US-5833968-A DISACCHARIDES AND/OR OLIGOSACCHARIDES, THICKENERS, CATIONIC POLYMERS, PROPELLANTS WELLA AKTIENGESELLSCHAFT (DE) 1998-11-10 US disclosed
US-5690921-A CHITOSAN, HALOGEN-FREE SOLVENT, AND WATER INSOLUBLE COMPOUND; HOLD, EASY WET COMBING WELLA AKTIENGESELLSCHAFT (DE) 1997-11-25 US disclosed
US-5512276-A SULFUR-FREE WELLA AKTIENGESELLSCHAFT (DE) 1996-04-30 US disclosed
EP-0664692-A1 AQUEOUS HAIR-FIXING AGENT IN THE FORM OF A SPRAYABLE HIGHLY VISCOUS GEL Wella Aktiengesellschaft (DE) 1995-08-02 EP disclosed
WO-1995000104-A1 AQUEOUS HAIR-FIXING AGENT IN THE FORM OF A SPRAYABLE HIGHLY VISCOUS GEL WELLA AKTIENGESELLSCHAFT (DE) 1995-01-05 WO disclosed