SCHEMBL829137

SCHEMBL829137

CCCCC(CC)COC(=O)c1cc(C(=O)O)c(C(=O)O)cc1C(=O)OCC(CC)CCCC

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.69
CYP3A4 P08684 4/20 0.69
CA2 P00918 3/20 0.69
TSHR P16473 4/20 0.69
MAPK1 P28482 3/20 0.69
LMNA P02545 3/20 0.63
PRSS1 P07477 1/20 0.62
PRSS2 P07478 1/20 0.62
PRSS3 P35030 1/20 0.62
HSD17B10 Q99714 1/20 0.54
TDP1 Q9NUW8 3/20 0.53
ATM Q13315 1/20 0.53
RECQL P46063 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.41
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP14 P50281 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL29624847 1.00 ALDH1A1 (0.69) ALDH1A1CYP3A4CA2TSHRMAPK1
SCHEMBL30487208 1.00 ALDH1A1 (0.69) ALDH1A1CYP3A4CA2TSHRMAPK1
SCHEMBL829086 1.00 ALDH1A1 (0.69) ALDH1A1CYP3A4CA2TSHRMAPK1
SCHEMBL7776098 1.00 ALDH1A1 (0.69) ALDH1A1CYP3A4CA2TSHRMAPK1
SCHEMBL226379 0.94 ALDH1A1 (0.77) ALDH1A1CYP3A4CA2TSHRMAPK1
SCHEMBL1417231 0.88 PRSS1 (0.62) ALDH1A1CYP3A4CA2TSHRMAPK1
SCHEMBL31285556 0.87 PRSS1 (0.57) ALDH1A1CYP3A4CA2TSHRMAPK1
SCHEMBL31285557 0.87 PRSS1 (0.57) ALDH1A1CYP3A4CA2TSHRMAPK1
SCHEMBL22440166 0.87 ALDH1A1 (0.88) ALDH1A1CYP3A4CA2TSHRMAPK1
SCHEMBL4141137 0.87 ALDH1A1 (0.79) ALDH1A1CYP3A4CA2TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567470-B1 HYDROGENATION OF BENZENE POLYCARBOXYLIC ACIDS OR DERIVATIVES THEREOF EXXONMOBIL CHEM PATENTS INC (US) 2013-06-05 EP claimed
US-7595420-B2 Hydrogenation of benzene polycarboxylic acids or derivatives thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-09-29 US claimed
US-20060247461-A1 Hydrogenation of benzene polycarboxylic acids or derivatives thereof EXXONMOBIL CHEMICAL PATENTS INC. 2006-11-02 US claimed
US-10017448-B2 Process for hydrogenation of benzenepolycarboxylic acids and derivatives thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2018-07-10 US disclosed
US-20170291867-A1 Improved Process for Hydrogenation of Benzenepolycarboxylic Acids and Derivatives Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2017-10-12 US disclosed
EP-3212605-A1 IMPROVED PROCESS FOR HYDROGENATION OF BENZENEPOLYCARBOXYLIC ACIDS AND DERIVITIVES THEREOF ExxonMobil Chemical Patents Inc. (US) 2017-09-06 EP disclosed
WO-2016066410-A1 IMPROVED PROCESS FOR HYDROGENATION OF BENZENEPOLYCARBOXYLIC ACIDS AND DERIVITIVES THEREOF EXXONMOBIL CHEMICAL PATENTS INC. (US) 2016-05-06 WO disclosed
EP-1567470-B1 HYDROGENATION OF BENZENE POLYCARBOXYLIC ACIDS OR DERIVATIVES THEREOF EXXONMOBIL CHEM PATENTS INC (US) 2013-06-05 EP disclosed
US-8203017-B2 Hydrogenation of benzene polycarboxylic acids or derivatives thereof EXXONMOBIL CHEMICAL PATENTS INC. (US) 2012-06-19 US disclosed
US-8143438-B2 Hydrogenation processes EXXONMOBIL CHEMICAL PATENTS INC. (US) 2012-03-27 US disclosed
US-20110112322-A1 Hydrogenation of Benzene Polycarboxylic Acids or Derivatives Thereof EXXONMOBIL CHEMICAL PATENTS INC. 2011-05-12 US disclosed
EP-1314714-A2 Method for hydrogenating benzene polycarboxylic acids or derivatives thereof by using a catalyst containing macropores BASF AKTIENGESELLSCHAFT (DE) 2003-05-28 EP disclosed
EP-1042273-B1 METHOD FOR HYDROGENATING BENZENE POLYCARBOXYLIC ACIDS OR DERIVATIVES THEREOF BY USING A CATALYST CONTAINING MACROPORES BASF AG (DE) 2003-05-07 EP disclosed
WO-2002100536-A1 METHOD FOR HYDROGENATING ORGANIC COMPOUNDS BY MEANS OF RU/SIO2 CATALYSTS BASF AKTIENGESELLSCHAFT (DE) 2002-12-19 WO disclosed
US-20020019559-A1 Hydrogenation of benzenepolycarboxylic acids or derivatives thereof using a catalyst containing macropores BRUNNER MELANIE (DE) 2002-02-14 US disclosed
US-6284917-B1 Method for hydrogenating benzene polycarboxylic acids or derivatives thereof by using a catalyst containing macropores BASF AKTIENGESELLSCHAFT (DE) 2001-09-04 US disclosed
US-20010004655-A1 CYANOACRYLATE ADHESIVE COMPOSITION TOAGOSEI CO., LTD. (JP) 2001-06-21 US disclosed
EP-1042273-A1 METHOD FOR HYDROGENATING BENZENE POLYCARBOXYLIC ACIDS OR DERIVATIVES THEREOF BY USING A CATALYST CONTAINING MACROPORES BASF AKTIENGESELLSCHAFT (DE) 2000-10-11 EP disclosed
WO-1999032427-A1 METHOD FOR HYDROGENATING BENZENE POLYCARBOXYLIC ACIDS OR DERIVATIVES THEREOF BY USING A CATALYST CONTAINING MACROPORES BASF AKTIENGESELLSCHAFT (DE) 1999-07-01 WO disclosed
US-4334080-A Process for producing benzene carboxylic acid ester MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 1982-06-08 US disclosed