SCHEMBL12339017

SCHEMBL12339017

CCCCOCCc1ccsc1/C=C/c1ccc(/C=C/c2sccc2CCOCCCC)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.38
ALDH1A1 P00352 3/20 0.33
TSHR P16473 2/20 0.33
APP P05067 2/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
RELA Q04206 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31
TUBA4A P68366 1/20 0.31
TUBB4B P68371 1/20 0.31
TUBB3 Q13509 1/20 0.31
TUBB2A Q13885 1/20 0.31
TUBB8 Q3ZCM7 1/20 0.31
TUBA3E Q6PEY2 1/20 0.31
TUBA1A Q71U36 1/20 0.31
TUBA1C Q9BQE3 1/20 0.31

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
SCHEMBL12339009 0.82 TYR (0.39) TSHRAPPCYP3A4KDM4E
SCHEMBL12339030 0.81 LPL (0.30) ALDH1A1TSHRCYP3A4
SCHEMBL12338973 0.78
SCHEMBL13410333 0.78 MEN1 (0.36) ALDH1A1TSHRCYP3A4KDM4EHPGD
SCHEMBL12339026 0.78 TYR (0.40) ALDH1A1TSHRCYP3A4KDM4EGAA
SCHEMBL2492582 0.75 TYR (0.43) TSHRCYP3A4KDM4E
SCHEMBL30613895 0.75 TYR (0.43) TSHRCYP3A4KDM4E
SCHEMBL2176969 0.75 TYR (0.43) TSHRCYP3A4KDM4E
SCHEMBL2176976 0.75 TYR (0.43) TSHRCYP3A4KDM4E
SCHEMBL12159726 0.75 TYR (0.43) TSHRCYP3A4KDM4E

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
US-8269099-B2 Electron donating organic material for photovoltaic devices, material for photovoltaic devices, and photovoltaic device TORAY INDUSTRIES, INC. (JP) 2012-09-18 US disclosed
US-8269099-B2 Electron donating organic material for photovoltaic devices, material for photovoltaic devices, and photovoltaic device TORAY INDUSTRIES, INC. (JP) 2012-09-18 US disclosed
US-20100006154-A1 ELECTRON DONATING ORGANIC MATERIAL FOR PHOTOVOLTAIC DEVICES, MATERIAL FOR PHOTOVOLTAIC DEVICES, AND PHOTOVOLTAIC DEVICE TORAY INDUSTRIES, INC. (JP) 2010-01-14 US disclosed
US-20100006154-A1 ELECTRON DONATING ORGANIC MATERIAL FOR PHOTOVOLTAIC DEVICES, MATERIAL FOR PHOTOVOLTAIC DEVICES, AND PHOTOVOLTAIC DEVICE TORAY INDUSTRIES, INC. (JP) 2010-01-14 US disclosed