SCHEMBL3892702

SCHEMBL3892702

O=C(O)c1ccc(C(=O)O)c(CCCC(O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
KDM4E B2RXH2 2/20 0.41
ACE2 Q9BYF1 2/20 0.40
TSHR P16473 3/20 0.39
MYC P01106 1/20 0.38
PTPN1 P18031 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
PTGS2 P35354 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL7797044 0.94 GRIN2D (0.40) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL3897418 0.90 KDM4E (0.47) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL7797041 0.85 GRIN2D (0.34) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL19817501 0.83 PLA2G4B (0.43) GRIN2DGRIN2AGRIN2BGRIN2CTSHR
SCHEMBL28422098 0.82 KDM4E (0.52) KDM4EACE2TSHRMYCPTPN1
SCHEMBL11747617 0.81 SLC16A3 (0.40) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL3342175 0.81 SLC16A3 (0.40) GRIN2DGRIN2AGRIN2BGRIN2CKDM4E
SCHEMBL5149350 0.79 KDM4E (0.43) KDM4EACE2TSHRMYCPTPN1
SCHEMBL10786940 0.79 HSD17B10 (0.46) KDM4ETSHRMYCAPEX1ALDH1A1
SCHEMBL459872 0.79 GABRP (0.54) TSHRMAPTTP53ALDH1A1RXRA

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1234812-B1 METHOD OF PURIFYING BISHYDROXYALKYL TEREPHTHALATE ORGANO CORP (JP) 2008-05-21 EP claimed
EP-0822163-B1 Exfoliated layered materials and nanocompositions comprising said exfoliated layered materials having water-insoluble oligomers or polymers adhered thereto AMCOL INTERNATIONAL CORP (US) 2002-11-13 EP claimed
EP-0780340-B1 Intercalates and exfoliates formed with functional monomeric organic compounds; composite materials containing same and methods of modifying rheology therewith AMCOL INTERNATIONAL CORP (US) 2002-03-20 EP claimed
EP-1881354-B1 PLASTIC OPTICAL FIBER CABLE MITSUBISHI RAYON CO (JP) 2016-03-16 EP disclosed
US-7609930-B2 Plastic optical fiber cable MITSUBISHI RAYON CO., LTD. (JP) 2009-10-27 US disclosed
US-7569319-B2 Binder resin for toner and electrophotographic toner for static charge image development containing the same MITSUI CHEMICALS, INC. (JP) 2009-08-04 US disclosed
US-20090067794-A1 Plastic optical fiber cable MITSUBISHI RAYON CO., LTD. (JP) 2009-03-12 US disclosed
EP-1262838-B1 RESIN COMPOSITION FOR TONER AND TONER MITSUI CHEMICALS INC (JP) 2009-01-21 EP disclosed
EP-1881354-A1 PLASTIC OPTICAL FIBER CABLE Mitsubishi Rayon Co., Ltd. (JP) 2008-01-23 EP disclosed
EP-1367075-B1 Binder resin for toner and toner MITSUI CHEMICALS INC (JP) 2007-08-29 EP disclosed
US-7105260-B2 Binder resin for toner and toner MITSUI CHEMICALS, INC. (JP) 2006-09-12 US disclosed
EP-1376249-A1 Binder resin for toner and toner Mitsui Chemicals, Inc. (JP) 2004-01-02 EP disclosed
EP-1367075-A1 Binder resin for toner and toner Mitsui Chemicals, Inc. (JP) 2003-12-03 EP disclosed
WO-2003016253-A1 METHOD FOR OBTAINING CHEMICAL RAW MATERIALS FROM POLYCONDENSATE AND POLYADDITION COMPOUNDS DER GRÜNE PUNKT - DUALES SYSTEM DEUTSCHLAND AG (DE) 2003-02-27 WO disclosed
US-20030008225-A1 Toner composition and method for production thereof MITSUI CHEMICALS, INC. (JP) 2003-01-09 US disclosed
EP-1271256-A1 TONER COMPOSITION AND METHOD FOR PRODUCTION THEREOF Mitsui Chemicals, Inc. (JP) 2003-01-02 EP disclosed
EP-1262838-A1 RESIN COMPOSITION FOR TONER AND TONER Mitsui Chemicals, Inc. (JP) 2002-12-04 EP disclosed
EP-0000159-B2 METHOD OF TREATING BUTANEDIOL OBTAINED IN THE CONDENSATE RESULTING FROM THE PRODUCTION OF POLYBUTYLENE TEREPHTHALATES BASF Aktiengesellschaft (DE) 1984-12-19 EP disclosed
EP-0000159-B1 METHOD OF TREATING BUTANEDIOL OBTAINED IN THE CONDENSATE RESULTING FROM THE PRODUCTION OF POLYBUTYLENE TEREPHTHALATES BASF Aktiengesellschaft (DE) 1980-07-23 EP disclosed
EP-0000159-A1 Method of treating butanediol obtained in the condensate resulting from the production of polybutylene terephthalates BASF Aktiengesellschaft (DE) 1979-01-10 EP disclosed