SCHEMBL2456544

SCHEMBL2456544

C=CC(O)(O)OC(=O)c1ccc(C(=O)OC(O)(O)C=C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.36
MAPK1 P28482 1/20 0.35
HIF1A Q16665 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CA1 P00915 4/20 0.35
CA2 P00918 4/20 0.35
CA12 O43570 3/20 0.35
CA9 Q16790 3/20 0.35
CA14 Q9ULX7 3/20 0.35
CA7 P43166 2/20 0.34
ALDH5A1 P51649 1/20 0.34
ABAT P80404 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
F2 P00734 1/20 0.33
LMNA P02545 1/20 0.33
SNCA P37840 1/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
MAPT P10636 1/20 0.31
MEN1 O00255 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
SCHEMBL2456547 0.92 TSHR (0.44) ALDH1A1CA1CA2CA12CA9
SCHEMBL10600520 0.79 UNG (0.42) ALDH1A1CA1CA2CA12CA9
SCHEMBL10424969 0.77 ELANE (0.42) ELANEMAPK1HIF1AALDH1A1CA1
Terephthalic Acid SCHEMBL10597108 0.72 TSHR (0.50) ALDH1A1CA1CA2CA12CA9
SCHEMBL10424970 0.71 TP53 (0.43) ELANEALDH1A1CA1CA2CA12
SCHEMBL7784206 0.71 ALDH1A1 (0.30) MAPK1HIF1AALDH1A1
SCHEMBL7784207 0.71
SCHEMBL7115491 0.70 ELANE (0.47) ELANEMAPK1ALDH1A1CA1CA2
SCHEMBL351315 0.70 ELANE (0.47) ELANEMAPK1ALDH1A1CA1CA2
SCHEMBL24948275 0.70 ALDH1A1 (0.41) ELANEALDH1A1CA1CA2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4104263-A ANTIMONY OR ZIRCONIUM CARBOXYLATES, CALCIUM MANGANESE OR ZINC CARBOXYLATES, ANHYDRIDES, ALCOHOLS, OR GLYCOLS M&T CHEMICALS INC. (US) 1978-08-01 US claimed
CN-110776629-A Cationic dyeable polyester and preparation method thereof 远东新世纪股份有限公司 2020-02-11 CN disclosed
EP-1671999-B1 PROCESS FOR PRODUCING POLYALKYLENE TEREPHTHALATE, PROCESS FOR PRODUCING POLYALKYLENE TEREPHTHALATE MOLDING AND POLYALKYLENE TEREPHTHALATE MOLDING ASAHI CHEMICAL IND (JP) 2016-12-07 EP disclosed
US-8013107-B2 Process for producing polyalkylene terephthalate, process for producing polyalkylene terephthalate molding and polyalkylene terephthalate molding ASAHI KASEI CHEMICALS CORPORATION (JP) 2011-09-06 US disclosed
US-20080274320-A1 Process for Producing Polyalkylene Terephthalate, Process for Producing Polyalkylene Terephthalate Molding and Polyalkylene Terephthalate Molding ASAHI KASEI CHEMICALS CORPORATION (JP) 2008-11-06 US disclosed
EP-1671999-A1 PROCESS FOR PRODUCING POLYALKYLENE TEREPHTHALATE, PROCESS FOR PRODUCING POLYALKYLENE TEREPHTHALATE MOLDING AND POLYALKYLENE TEREPHTHALATE MOLDING Asahi Kasei Chemicals Corporation (JP) 2006-06-21 EP disclosed
EP-0890622-B1 COATING COMPOSITION FOR PRECOATED STEEL SHEET, PRECOATED STEEL SHEET, AND PROCESS FOR PREPARING THE SAME JFE STEEL CORP (JP) 2004-07-21 EP disclosed
US-6136455-A THERMOSETTING COATING COMPOSITION FOR PRECOATED STEEL SHEETS WHICH ARE REQUIRED TO HAVE HIGH HARDNESS, GOOD WORKABILITY AND STAIN RESISTANCE NKK CORPORATION (JP) 2000-10-24 US disclosed
US-6018013-A CONSISTS OF A POLYESTER OF GIVEN FORMULA DERIVED FROM 1,4-CYCLOHEXANEDICARBOXYLIC ACID AND A DIOL; A POLYOL; AND CURING AGENT; WORKABILITY AND HARDNESS NKK CORPORATION (JP) 2000-01-25 US disclosed
EP-0890622-A1 COATING COMPOSITION FOR PRECOATED STEEL SHEET, PRECOATED STEEL SHEET, AND PROCESS FOR PREPARING THE SAME NKK CORPORATION (JP) 1999-01-13 EP disclosed
US-5817731-A POLYESTERDIOL NKK CORPORATION (JP) 1998-10-06 US disclosed
US-5782935-A DISPERSE DYES DEGUSSA AKTIENGESELLSCHAFT (DE) 1998-07-21 US disclosed