SCHEMBL1714486

SCHEMBL1714486

c1ccc2cc(-c3cc4cccc5c6cc(-c7ccc8ccccc8c7)cc7cccc(c(c3)c45)c76)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.50
HSD17B2 P37059 2/20 0.50
ESR1 P03372 3/20 0.48
ESR2 Q92731 3/20 0.48
CYP1A2 P05177 5/20 0.47
ERBB2 P04626 1/20 0.47
FYN P06241 1/20 0.47
MAOA P21397 1/20 0.47
ACHE P22303 1/20 0.47
AHR P35869 1/20 0.47
ALOX5 P09917 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
THRB P10828 1/20 0.46
GSTP1 P09211 1/20 0.44
CYP17A1 P05093 1/20 0.43
CYP19A1 P11511 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43

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
SCHEMBL27585367 0.82 CYP1A2 (0.48) ESR1ESR2CYP1A2ERBB2FYN
SCHEMBL25112678 0.81 CYP1A2 (0.43) HSD17B1HSD17B2ESR1ESR2CYP1A2
SCHEMBL25112663 0.80 ALDH1A1 (0.42) HSD17B1HSD17B2ESR1ESR2CYP1A2
SCHEMBL25112779 0.79 CYP1A2 (0.43) HSD17B1HSD17B2CYP1A2ERBB2FYN
SCHEMBL25112806 0.79 CYP1A2 (0.43) HSD17B1HSD17B2CYP1A2ERBB2FYN
SCHEMBL7905146 0.78 ESR1 (0.65) HSD17B1HSD17B2ESR1ESR2CYP1A2
SCHEMBL239121 0.78 ESR1 (0.71) HSD17B1HSD17B2ESR1ESR2CYP1A2
SCHEMBL15902840 0.78 ESR1 (0.71) HSD17B1HSD17B2ESR1ESR2CYP1A2
SCHEMBL5013872 0.78 ESR1 (0.71) HSD17B1HSD17B2ESR1ESR2CYP1A2
SCHEMBL30603836 0.78 ESR1 (0.71) HSD17B1HSD17B2ESR1ESR2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1755362-B1 ORGANIC EL DEVICE TOYOTA JIDOSHOKKI KK (JP) 2011-07-20 EP disclosed
US-7854998-B2 Organic EL devices KABUSHIKI KAISHA TOYOTA JIDOSHOKKI (JP) 2010-12-21 US disclosed
US-20080290788-A1 Organic el Devices KABUSHIKI KAISHA TOYOTA JIDOSHOKKI (JP) 2008-11-27 US disclosed
EP-1755362-A1 ORGANIC EL DEVICE KABUSHIKI KAISHA TOYOTA JIDOSHOKKI (JP) 2007-02-21 EP disclosed