SCHEMBL4603846

SCHEMBL4603846

Cc1c(NCCCO)cccc1NCCCO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
MAPT P10636 4/20 0.53
KDM4E B2RXH2 2/20 0.53
GAA P10253 2/20 0.53
HSD17B10 Q99714 2/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
BRD4 O60885 2/20 0.51
HTT P42858 2/20 0.43
CYP19A1 P11511 1/20 0.43
NSD2 O96028 1/20 0.42
FGB P02675 1/20 0.42
MMP14 P50281 1/20 0.42
KMT2A Q03164 2/20 0.41
POLB P06746 3/20 0.41
RAD52 P43351 2/20 0.41
TERT O14746 1/20 0.40
GLA P06280 1/20 0.40
MAPK1 P28482 2/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL26928986 0.90 KMT2A (0.53) ALDH1A1MAPTKDM4EGAAHSD17B10
SCHEMBL5809523 0.89 MAPT (0.47) ALDH1A1MAPTKDM4EGAAHSD17B10
SCHEMBL34077 0.87 KDM4E (0.50) ALDH1A1MAPTKDM4EGAAHSD17B10
SCHEMBL1983015 0.82 MAPT (0.69) ALDH1A1MAPTKDM4EGAAHSD17B10
SCHEMBL6228831 0.81 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EGAAHSD17B10
SCHEMBL6230346 0.81 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EGAAHSD17B10
SCHEMBL6255036 0.80 BRD4 (0.49) ALDH1A1MAPTKDM4EGAAHSD17B10
SCHEMBL6152099 0.79 KAT2B (0.55) ALDH1A1MAPTHSD17B10HPGDTSHR
Hydrochloric Acid SCHEMBL4861614 0.78 BRD4 (0.48) ALDH1A1MAPTKDM4EGAAHSD17B10
SCHEMBL4553710 0.78 ALDH1A1 (0.49) ALDH1A1MAPTKDM4EGAAHSD17B10

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
EP-0832640-B1 Oxidation dyeing composition for keratin fibres HENKEL KGAA (DE) 2008-04-30 EP claimed
EP-0832640-A2 Oxidation dyeing composition for keratin fibres Henkel Kommanditgesellschaft auf Aktien (DE) 1998-04-01 EP claimed
EP-0832640-B1 Oxidation dyeing composition for keratin fibres HENKEL KGAA (DE) 2008-04-30 EP disclosed
EP-0832640-A2 Oxidation dyeing composition for keratin fibres Henkel Kommanditgesellschaft auf Aktien (DE) 1998-04-01 EP disclosed
US-5230710-A SUBSTITUTED 2,6-DIAMINOTOLUENES, PROCESSES FOR THEIR PREPARATION AND COLORING AGENTS FOR KERATINIC FIBERS COMPRISING THESE COMPOUNDS HANS SCHWARZKOPF GMBH (DE) 1993-07-27 US disclosed