SCHEMBL6405869

SCHEMBL6405869

O=C1OC2(c3ccc(OCCCl)cc3Oc3cc(OCCCl)ccc32)c2ccccc21

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.74
MAPT P10636 4/20 0.62
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
LMNA P02545 4/20 0.62
HTT P42858 2/20 0.62
USP2 O75604 2/20 0.62
ALDH1A1 P00352 2/20 0.62
FTO Q9C0B1 6/20 0.57
TDP1 Q9NUW8 3/20 0.57
RECQL P46063 2/20 0.57
BLM P54132 2/20 0.57
PRMT1 Q99873 2/20 0.57
ACE2 Q9BYF1 2/20 0.57
HPGD P15428 1/20 0.57
CYP2C19 P33261 1/20 0.57
SMAD3 P84022 1/20 0.57
GSTP1 P09211 1/20 0.53
ITPR3 Q14573 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42

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
SCHEMBL28545013 0.92 CYP3A4 (0.67) CYP3A4MAPTMEN1KMT2ALMNA
SCHEMBL28548019 0.86 CYP3A4 (0.65) CYP3A4MAPTMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL23440293 0.86 CYP3A4 (0.71) CYP3A4MAPTMEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL29983636 0.86 CYP3A4 (0.71) CYP3A4MAPTMEN1KMT2ALMNA
Diethoxyflourescein SCHEMBL6404797 0.85 CYP3A4 (1.00) CYP3A4MAPTMEN1KMT2ALMNA
SCHEMBL17227486 0.85 CYP3A4 (0.77) CYP3A4MAPTMEN1KMT2ALMNA
SCHEMBL6408606 0.85 CYP3A4 (0.69) CYP3A4MAPTMEN1KMT2ALMNA
SCHEMBL10264703 0.84 CYP3A4 (0.75) CYP3A4MAPTMEN1KMT2ALMNA
SCHEMBL6405574 0.83 CYP3A4 (0.74) CYP3A4MAPTMEN1KMT2ALMNA
SCHEMBL14750866 0.83 CYP3A4 (0.78) CYP3A4MAPTMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537853-A1 Use of a composition comprising a compound comprising a lacton ring and/or a corresponding coloring agent with an open ring for dyeing keratinuous fibers L'OREAL (FR) 2005-06-08 EP claimed
US-9745487-B2 Yellow thermochromic dyes, inks composition and level indicators CHROMATIC TECHNOLOGIES, INC. (US) 2017-08-29 US disclosed
US-9745487-B2 Yellow thermochromic dyes, inks composition and level indicators CHROMATIC TECHNOLOGIES, INC. (US) 2017-08-29 US disclosed
EP-3017010-B1 YELLOW THERMOCHROMIC DYES, INKS COMPOSITION AND LEVEL INDICATORS CHROMATIC TECH INC (US) 2017-05-17 EP disclosed
US-20160333210-A1 Yellow Thermochromic Dyes, Inks Composition And Level Indicators CHROMATIC TECHNOLOGIES, INC. (US) 2016-11-17 US disclosed
US-20160333210-A1 Yellow Thermochromic Dyes, Inks Composition And Level Indicators CHROMATIC TECHNOLOGIES, INC. (US) 2016-11-17 US disclosed
US-9399716-B2 Yellow thermochromic dyes, inks composition and level indicators CHROMATIC TECHNOLOGIES INC. (US) 2016-07-26 US disclosed
US-9399716-B2 Yellow thermochromic dyes, inks composition and level indicators CHROMATIC TECHNOLOGIES INC. (US) 2016-07-26 US disclosed
EP-1537853-A1 Use of a composition comprising a compound comprising a lacton ring and/or a corresponding coloring agent with an open ring for dyeing keratinuous fibers L'OREAL (FR) 2005-06-08 EP disclosed