SCHEMBL8337349

SCHEMBL8337349

Oc1ccc2ccc3cccc4ccc1c2c34.[NaH]

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.52
HSD17B10 Q99714 5/20 0.52
ALDH1A1 P00352 5/20 0.52
CYP1A2 P05177 5/20 0.52
TSHR P16473 3/20 0.52
CYP3A4 P08684 2/20 0.52
CYP1A1 P04798 1/20 0.52
CYP1B1 Q16678 1/20 0.52
TDP1 Q9NUW8 2/20 0.52
THRB P10828 2/20 0.52
MAPT P10636 2/20 0.52
APP P05067 1/20 0.52
ALOX15 P16050 1/20 0.52
CASP1 P29466 1/20 0.52
SNCA P37840 1/20 0.52
RECQL P46063 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ERBB2 P04626 1/20 0.48
FYN P06241 1/20 0.48
MAOA P21397 1/20 0.48

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
SCHEMBL7744427 1.00 HPGD (0.52) HPGDHSD17B10ALDH1A1CYP1A2TSHR
SCHEMBL218996 0.98 HPGD (0.55) HPGDHSD17B10ALDH1A1CYP1A2TSHR
SCHEMBL29571791 0.98 HPGD (0.55) HPGDHSD17B10ALDH1A1CYP1A2TSHR
SCHEMBL29362339 0.98 HPGD (0.55) HPGDHSD17B10ALDH1A1CYP1A2TSHR
Methane SCHEMBL28526267 0.95 HPGD (0.52) HPGDHSD17B10ALDH1A1CYP1A2TSHR
SCHEMBL27927698 0.95 HPGD (0.52) HPGDHSD17B10ALDH1A1CYP1A2TSHR
SCHEMBL7744429 0.95 HPGD (0.52) HPGDHSD17B10ALDH1A1CYP1A2TSHR
SCHEMBL28329629 0.95 HPGD (0.52) HPGDHSD17B10ALDH1A1CYP1A2TSHR
Methyl Alcohol SCHEMBL28626522 0.93 HPGD (0.56) HPGDHSD17B10ALDH1A1CYP1A2TSHR
Formaldehyde SCHEMBL28058196 0.91 HPGD (0.48) HPGDHSD17B10ALDH1A1CYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101475266-A Fluorescent tracing scale inhibitor and preparation thereof UNIV SOUTHEAST (CN) 2009-07-08 CN claimed
CN-101125714-A Fluorescence polyether antisludging agent and preparation method UNIV SOUTHEAST (CN) 2008-02-20 CN claimed
US-5865883-A MIXTURE CONTAINING TRIETHANOLAMINE CANON KABUSHIKI KAISHA (JP) 1999-02-02 US claimed
CN-101125714-B Fluorescent polyether scale inhibitor and preparation method thereof UNIV SOUTHEAST 2012-05-23 CN disclosed
CN-202051712-U Fluorescence optical fiber sensor capable of monitoring partial pressure of carbon dioxide in blood in real time manner ZHONGSHAN HOSPITAL FUDAN UNIV 2011-11-30 CN disclosed
CN-202005754-U Fluorescent optical fiber sensor capable of monitoring dissolved oxygen partial pressure and carbon dioxide partial pressure in blood ZHONGSHAN HOSPITAL FUDAN UNIV 2011-10-12 CN disclosed
CN-101475266-A Fluorescent tracing scale inhibitor and preparation thereof UNIV SOUTHEAST (CN) 2009-07-08 CN disclosed
CN-101125714-A Fluorescence polyether antisludging agent and preparation method UNIV SOUTHEAST (CN) 2008-02-20 CN disclosed