SCHEMBL4623595

SCHEMBL4623595

[c]1ccc[c]c1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
SLC22A2 O15244 1/20 0.36
SLC22A1 O15245 1/20 0.36
SLC22A3 O75751 1/20 0.36
SLC6A4 P31645 1/20 0.36
MAPK1 P28482 3/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
CYP2A6 P11509 2/20 0.35
CYP2E1 P05181 1/20 0.35
CYP2B6 P20813 1/20 0.35
HSD17B10 Q99714 3/20 0.33
BCL2L1 Q07817 2/20 0.33
CYP1A2 P05177 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
CYP3A4 P08684 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL9458255 0.95 ALDH1A1 (0.47) ALDH1A1SLC22A2SLC22A1SLC22A3SLC6A4
SCHEMBL9458398 0.83 MAOA (0.43) ALDH1A1SLC22A2SLC22A1SLC22A3SLC6A4
SCHEMBL5581746 0.74 ALDH1A1 (0.50) ALDH1A1SLC22A2SLC22A1SLC22A3SLC6A4
SCHEMBL10933253 0.72 ALDH1A1 (0.35) ALDH1A1
SCHEMBL38202 0.69 ALDH1A1 (0.42) ALDH1A1SLC22A2SLC22A1SLC22A3SLC6A4
SCHEMBL30629023 0.65 ALDH1A1 (1.00) ALDH1A1SLC22A2SLC22A1SLC22A3SLC6A4
Biphenyl SCHEMBL2548048 0.65 ALDH1A1 (1.00) ALDH1A1SLC22A2SLC22A1SLC22A3SLC6A4
Biphenyl SCHEMBL4002609 0.65 ALDH1A1 (1.00) ALDH1A1SLC22A2SLC22A1SLC22A3SLC6A4
Biphenyl SCHEMBL1358618 0.65 ALDH1A1 (1.00) ALDH1A1SLC22A2SLC22A1SLC22A3SLC6A4
SCHEMBL30108088 0.65 ALDH1A1 (1.00) ALDH1A1SLC22A2SLC22A1SLC22A3SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103403057-B The manufacture method of polyester and fluorine-containing di-carboxylic acid ester cpds ASAHI GLASS CO.,LTD. (JP) 2016-01-20 CN disclosed
US-8703899-B2 Method for producing polyester, and fluorine-containing dicarboxylic acid ester compound ASASHI GLASS COMPANY LIMITED (JP) 2014-04-22 US disclosed
US-20130345387-A1 METHOD FOR PRODUCING POLYESTER, AND FLUORINE-CONTAINING DICARBOXYLIC ACID ESTER COMPOUND ASAHI GLASS COMPANY, LIMITED (JP) 2013-12-26 US disclosed
EP-1219657-B1 POLYARYLENE AND METHOD FOR PRODUCTION THEREOF JAPAN SCIENCE & TECH AGENCY (JP) 2008-03-19 EP disclosed
US-6586554-B1 Polyarylene and method for production thereof JAPAN SCIENCE AND TECHNOLOGY CORPORATION (JP) 2003-07-01 US disclosed
EP-0773249-B1 Polyphenylene co-polymers MISSISSIPPI POLYMER TECHNOLOGI (US) 2002-10-02 EP disclosed
EP-1219657-A1 POLYARYLENE AND METHOD FOR PRODUCTION THEREOF Japan Science and Technology Corporation (JP) 2002-07-03 EP disclosed
US-5886130-A THE CO-POLYMERS ARE USEFUL AS MOLDING RESINS, AND COMPOSITE MATRIX RESINS, AND WHERE AR IS HETEROARYLENE AS ION EXCHANGE RESINS. MAXDEM INCORPORATED (US) 1999-03-23 US disclosed
EP-0773249-A1 Polyphenylene co-polymers MAXDEM INCORPORATED (US) 1997-05-14 EP disclosed