SCHEMBL7707476

SCHEMBL7707476

CC(CCCl)Nc1ccc(C=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
HSD17B10 Q99714 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
CYP3A4 P08684 2/20 0.42
ALOX15 P16050 2/20 0.42
TSHR P16473 2/20 0.42
HIF1A Q16665 2/20 0.42
TP53 P04637 1/20 0.42
HSP90AA1 P07900 1/20 0.42
THRB P10828 1/20 0.42
CASP1 P29466 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TYR P14679 1/20 0.41
ALDH1A3 P47895 3/20 0.38
MAPK1 P28482 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 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
SCHEMBL7040045 0.80 ALDH1A1 (0.69) ALDH1A1HSD17B10L3MBTL1CYP3A4ALOX15
SCHEMBL8646926 0.80 ADH1B (0.46) ALDH1A1HSD17B10L3MBTL1CYP3A4ALOX15
SCHEMBL11560859 0.79 ADH1B (0.49) ALDH1A1HSD17B10L3MBTL1CYP3A4ALOX15
SCHEMBL11281185 0.79 ADH1B (0.49) ALDH1A1HSD17B10L3MBTL1CYP3A4ALOX15
SCHEMBL9725343 0.78 ALDH1A1 (0.49) ALDH1A1HSD17B10L3MBTL1CYP3A4ALOX15
SCHEMBL9513873 0.76 TYR (0.34) ALDH1A1HSD17B10L3MBTL1CYP3A4ALOX15
SCHEMBL4901085 0.75 TYR (0.52) ALDH1A1HSD17B10L3MBTL1CYP3A4ALOX15
SCHEMBL7251917 0.75 ALDH1A1 (0.51) ALDH1A1HSD17B10L3MBTL1CYP3A4TSHR
SCHEMBL10725182 0.73 TAAR1 (0.56) ALDH1A1HSD17B10CYP3A4ALOX15TSHR
SCHEMBL21507504 0.72 TYR (0.48) ALDH1A1HSD17B10TYRALDH1A3KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6362342-B1 BIOSYNTHESIS; DRUG LIBRARIES LION BIOSCIENCE AG (DE) 2002-03-26 US disclosed
EP-0412101-B1 NOVEL METHINE COMPOUNDS, POLYMERS CONTAINING THEM AND FORMED ARTICLES THEREFROM EASTMAN KODAK CO (US) 1993-10-27 EP disclosed
US-5086161-A Ultraviolet radiation screening food packaging EASTMAN KODAK COMPANY (US) 1992-02-04 US disclosed
US-5075491-A Ultraviolet radiation absorbers EASTMAN KODAK COMPANY (US) 1991-12-24 US disclosed
US-5068348-A For food packaging EASTMAN KODAK COMPANY (US) 1991-11-26 US disclosed
EP-0412101-A1 NOVEL METHINE COMPOUNDS, POLYMERS CONTAINING THEM AND FORMED ARTICLES THEREFROM. EASTMAN KODAK CO (US) 1991-02-13 EP disclosed
US-4958043-A Novel methine compounds, polymers containing them and formed articles therefrom EASTMAN KODAK COMPANY (US) 1990-09-18 US disclosed