SCHEMBL991441

SCHEMBL991441

CCCCCCCCCCc1sc(CCCCCCCCCC)c(CCCCCCCCCC)c1CCCCCCCCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.40
THRB P10828 1/20 0.40
GPR35 Q9HC97 5/20 0.38
TYMP P19971 2/20 0.37
PTGS2 P35354 3/20 0.35
ESR1 P03372 2/20 0.35
ADRA2A P08913 2/20 0.35
ADORA3 P0DMS8 2/20 0.35
TACR2 P21452 2/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
SHBG P04278 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
HSPD1 P10809 1/20 0.35
ADRB3 P13945 1/20 0.35

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
SCHEMBL329004 0.98 ALDH1A1 (0.44) ALDH1A1TSHRTHRBGPR35TYMP
SCHEMBL12704406 0.82 GPR35 (0.37) ALDH1A1TSHRTHRBGPR35TYMP
SCHEMBL12874162 0.82 GPR35 (0.37) ALDH1A1TSHRTHRBGPR35TYMP
SCHEMBL5683540 0.82 SCD (0.49) ALDH1A1TSHRESR1HSD17B10
SCHEMBL15477357 0.82 SCD (0.49) ALDH1A1TSHRESR1HSD17B10
SCHEMBL17353542 0.79 GPR35 (0.56) ALDH1A1GPR35
SCHEMBL17008157 0.78 TSHR (0.57) ALDH1A1TSHRTHRBTYMPPTGS2
SCHEMBL9347762 0.78 GPR35 (0.35) ALDH1A1GPR35TYMP
SCHEMBL9994207 0.77 TSHR (0.42) ALDH1A1TSHRTHRBGPR35TYMP
SCHEMBL13337265 0.77 TSHR (0.42) ALDH1A1TSHRTHRBGPR35TYMP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2684872-A1 COMPOUND HAVING HEPTAMETHINE STRUCTURE, SENSITIZING DYE AND PHOTOELECTRIC CONVERSION ELEMENT Gifu University (JP) 2014-01-15 EP disclosed
US-8377504-B2 Method for producing electroconductive polymer electrode, and dye-sensitized solar cell equipped with the same DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 2013-02-19 US disclosed
US-20110000527-A1 METHOD FOR PRODUCING ELECTROCONDUCTIVE POLYMER ELECTRODE, AND DYE-SENSITIZED SOLAR CELL EQUIPPED WITH THE SAME DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 2011-01-06 US disclosed
EP-2192650-A1 PROCESS FOR PRODUCING ELECTROCONDUCTIVE POLYMER ELECTRODE AND DYE-SENSITIZED SOLAR CELL COMPRISING THE ELECTROCONDUCTIVE POLYMER ELECTRODE Dai-Ichi Kogyo Seiyaku Co., Ltd. (JP) 2010-06-02 EP disclosed
US-20080041438-A1 Photoelectric conversion device DAI-ICHI KOGYO SEIYAKU CO., LTD. (JP) 2008-02-21 US disclosed
EP-1865522-A2 Redox pair for a dye sensitized solar cell Dai-Ichi Kogyo Seiyaku Co., Ltd. (JP) 2007-12-12 EP disclosed