SCHEMBL12339028

SCHEMBL12339028

CCCCOCCc1ccsc1C=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.36
ALDH1A1 P00352 6/20 0.36
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP3A4 P08684 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
GAA P10253 2/20 0.32
HPGD P15428 2/20 0.32
RARB P10826 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
CA9 Q16790 1/20 0.31
PLA2G4A P47712 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.30
HSP90AA1 P07900 1/20 0.30

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
SCHEMBL12339017 0.82 AHR (0.38) TSHRALDH1A1CYP3A4GAAHPGD
SCHEMBL18826032 0.81 HIF1A (0.42) TSHRMEN1KMT2ACYP3A4TDP1
SCHEMBL371668 0.81 HIF1A (0.42) TSHRMEN1KMT2ACYP3A4TDP1
SCHEMBL820018 0.81 HIF1A (0.42) TSHRMEN1KMT2ACYP3A4TDP1
SCHEMBL18826026 0.81 HIF1A (0.42) TSHRMEN1KMT2ACYP3A4TDP1
SCHEMBL2146038 0.81 HIF1A (0.42) TSHRMEN1KMT2ACYP3A4TDP1
SCHEMBL10301447 0.81 HIF1A (0.42) TSHRMEN1KMT2ACYP3A4TDP1
SCHEMBL18825900 0.81 HIF1A (0.42) TSHRMEN1KMT2ACYP3A4TDP1
SCHEMBL6816923 0.80 PRKCI (0.33) MEN1KMT2AL3MBTL1GAA
SCHEMBL12338997 0.76 ALDH1A1 (0.36) TSHRALDH1A1MEN1KMT2ACYP3A4

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