SCHEMBL2456549

SCHEMBL2456549

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
TP53 P04637 2/20 0.43
MAPT P10636 1/20 0.39
SRD5A2 P31213 2/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA12 O43570 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
KMT2A Q03164 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
CA3 P07451 1/20 0.38
TYR P14679 1/20 0.38
DRD1 P21728 1/20 0.38
CA4 P22748 1/20 0.38

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
SCHEMBL175074 0.80 TSHR (0.44) TSHRTP53MAPTSRD5A2PDCD1
SCHEMBL9562944 0.77 TSHR (0.55) TSHRTP53MAPTSRD5A2PDCD1
SCHEMBL902823 0.73 CA1 (0.52) TSHRTP53MAPTSRD5A2PDCD1
SCHEMBL28909356 0.73 TSHR (0.50) TSHRTP53MAPTSRD5A2PDCD1
SCHEMBL15270927 0.71 TSHR (0.52) TSHRTP53MAPTSRD5A2PDCD1
SCHEMBL6228537 0.71 CA1 (0.70) TSHRTP53MAPTPDCD1CD274
SCHEMBL175073 0.71 CA12 (0.44) TSHRTP53PDCD1CD274ALDH1A1
Terephthalic Acid SCHEMBL345496 0.71 TSHR (0.75) TSHRTP53SRD5A2ALDH1A1CA1
SCHEMBL8677799 0.70 TSHR (0.46) TSHRTP53MAPTSRD5A2PDCD1
SCHEMBL27832016 0.70 MAPT (0.49) TSHRTP53MAPTSRD5A2PDCD1

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