SCHEMBL655462

SCHEMBL655462

[2H]C(c1ccc(N(CC)CC)cc1)(c1ccc(N(CC)CC)cc1)c1ccc(N(CC)CC)cc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.49
ALDH1A1 P00352 6/20 0.41
TSHR P16473 2/20 0.41
GRK6 P43250 1/20 0.39
CYP3A4 P08684 3/20 0.39
MAPK1 P28482 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
PSMD14 O00487 1/20 0.39
RECQL P46063 1/20 0.39
GFER P55789 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TERT O14746 1/20 0.39
CNR2 P34972 6/20 0.38
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
IGLV6-57 P01721 1/20 0.37
GLA P06280 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL657812 0.97 S100B (0.49) S100BALDH1A1TSHRGRK6CYP3A4
SCHEMBL7115272 0.90 S100B (0.55) S100BALDH1A1TSHRCYP3A4MAPK1
SCHEMBL656825 0.83 S100B (0.51) S100BALDH1A1TSHRGRK6CYP3A4
SCHEMBL13804083 0.83 S100B (0.51) S100BALDH1A1TSHRGRK6CYP3A4
SCHEMBL658351 0.83 S100B (0.51) S100BALDH1A1TSHRGRK6CYP3A4
SCHEMBL10952039 0.81 S100B (0.53) S100BALDH1A1TSHRGRK6CYP3A4
SCHEMBL12781700 0.81 S100B (0.56) S100BALDH1A1TSHRCYP3A4MAPK1
SCHEMBL667861 0.80 ALDH1A1 (0.52) ALDH1A1TSHRGRK6CYP3A4MAPK1
SCHEMBL4434025 0.80 S100B (0.51) S100BALDH1A1TSHRGRK6CYP3A4
SCHEMBL13897298 0.79 S100B (0.47) S100BALDH1A1TSHRGRK6CYP3A4

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 69 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7501172-B2 Integrated recording and labeling with optical recording device HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2009-03-10 US claimed
US-7172991-B2 Integrated CD/DVD recording and labeling HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2007-02-06 US claimed
US-20060262178-A1 Integrated recording and labeling with optical recording device ANDERSON DARYL E 2006-11-23 US claimed
EP-0828182-B1 Storage-stable photoimageable compositions with improved leuco dye DU PONT (US) 2003-11-19 EP claimed
US-20030108708-A1 Integrated CD/DVD recording and labeling HEWLETT-PACKARD DEVELOPMENT COMPANY L.P. 2003-06-12 US claimed
US-6251571-B1 MIXTURE OF OXIDIZER, DYE AND HYDROXYLAMINE E. I. DU PONT DE NEMOURS AND COMPANY 2001-06-26 US claimed
US-5744280-A MONOCHROME IMAGES;IMPROVED CONTRAST E. I. DU PONT DE NEMOURS AND COMPANY (US) 1998-04-28 US claimed
US-20220372312-A1 MARKING COMPOSITIONS SANFORD L.P. 2022-11-24 US disclosed
EP-4092089-A1 MARKING COMPOSITIONS Sanford, L.P. (US) 2022-11-23 EP disclosed
US-9797885-B2 Methods and articles for the detection of exposure to polyhydroxyaromatic skin irritants SeeLeaf Inc. (US) 2017-10-24 US disclosed
US-9611409-B2 Color developing colorless primer OATEY CO. (US) 2017-04-04 US disclosed
US-20160327546-A1 METHODS AND ARTICLES FOR THE DETECTION OF EXPOSURE TO POLYHYDROXYAROMATIC SKIN IRRITANTS SEELEAF INC 2016-11-10 US disclosed
EP-2864129-B1 IRREVERSIBLE THERMOCHROMIC INK COMPOSITIONS SANFORD LP (US) 2016-03-30 EP disclosed
WO-2005025885-A1 PROTECTED ACTIVATORS FOR USE IN LEUCO DYE COMPOSITIONS HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2005-03-24 WO disclosed
US-20050053748-A1 METAL SALT ACTIVATORS FOR USE IN LEUCO DYE COMPOSITIONS HEWLETT-PACKARD DEVELOPMENT COMPANY L.P. 2005-03-10 US disclosed
EP-1435093-A2 INTEGRATED CD/DVD RECORDING AND LABELING Hewlett-Packard Company (US) 2004-07-07 EP disclosed
EP-0828182-B1 Storage-stable photoimageable compositions with improved leuco dye DU PONT (US) 2003-11-19 EP disclosed
US-20030108708-A1 Integrated CD/DVD recording and labeling HEWLETT-PACKARD DEVELOPMENT COMPANY L.P. 2003-06-12 US disclosed
WO-2003032299-A2 INTEGRATED CD/DVD RECORDING AND LABELING HEWLETT-PACKARD COMPANY (US) 2003-04-17 WO disclosed
EP-0828182-A1 Storage-stable photoimageable compositions with improved leuco dye E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-03-11 EP disclosed