SCHEMBL3220487

SCHEMBL3220487

CCCCCCCOC(=O)c1ccccc1CCC

nearest known ligand 0.77

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.77
TSHR P16473 6/20 0.77
LMNA P02545 3/20 0.77
MAPK1 P28482 3/20 0.73
CYP3A4 P08684 2/20 0.73
TP53 P04637 1/20 0.73
KDM4E B2RXH2 3/20 0.67
HSD17B10 Q99714 2/20 0.67
POLB P06746 1/20 0.67
L3MBTL1 Q9Y468 3/20 0.66
TDP1 Q9NUW8 2/20 0.66
SCN1A P35498 2/20 0.55
SCN2A Q99250 2/20 0.55
SCN3A Q9NY46 2/20 0.55
MAPT P10636 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50

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
SCHEMBL10885774 1.00 ALDH1A1 (0.77) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL10887297 1.00 ALDH1A1 (0.77) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL10885624 1.00 ALDH1A1 (0.77) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL10888502 0.98 TSHR (0.76) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL5407181 0.94 ALDH1A1 (0.77) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL1147852 0.94 ALDH1A1 (0.77) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL2385137 0.94 ALDH1A1 (0.77) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL21800979 0.94 ALDH1A1 (0.77) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL2385142 0.94 ALDH1A1 (0.77) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL451075 0.94 ALDH1A1 (0.77) ALDH1A1TSHRLMNAMAPK1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190055376-A1 PLASTICIZER COMPOSITION CONTAINING POLYMERIC DICARBOXYLIC ACID ESTERS AND PHTHALIC ACID DIALKYL ESTERS BASF SE (DE) 2019-02-21 US disclosed
US-20180291180-A1 PLASTICIZER COMPOSITION CONTAINING POLYMERIC DICARBOXYLIC ACID ESTERS AND DICARBOXYLIC ACID DIESTERS BASF SE (DE) 2018-10-11 US disclosed
US-20180282510-A1 PLASTICIZER COMPOSITION CONTAINING POLYMERIC DICARBOXYLIC ACID ESTERS AND DICARBOXYLIC ACID DIESTERS BASF SE (DE) 2018-10-04 US disclosed
US-20180282511-A1 PLASTICIZER COMPOSITION CONTAINING POLYMERIC DICARBOXYLIC ACID ESTERS AND TEREPHTHALIC ACID DIALKYL ESTERS BASF SE (DE) 2018-10-04 US disclosed
EP-1846492-B1 IMPROVEMENTS IN OR RELATING TO PLASTICISER COMPOSITIONS EXXONMOBIL CHEM PATENTS INC (US) 2014-10-01 EP disclosed
US-20100048778-A1 Plasticiser Compositions EXXONMOBIL CHEMICAL PATENTS INC. 2010-02-25 US disclosed
US-7629413-B2 flooring; C9 to C11 alkyl benzoates are used as plasticisers for polyvinyl chloride in particular in combination with plasticisers such as di-2-ethyl hexyl phthalate, diisononyl phthalate, di-2-propyl heptyl phthalate, diisodecyl phthalate or di-2-ethyl hexyl terephthalate EXXONMOBIL CHEMICAL PATENTS INC. (US) 2009-12-08 US disclosed
US-20080234414-A1 flooring; C9 to C11 alkyl benzoates are used as plasticisers for polyvinyl chloride in particular in combination with plasticisers such as di-2-ethyl hexyl phthalate, diisononyl phthalate, di-2-propyl heptyl phthalate, diisodecyl phthalate or di-2-ethyl hexyl terephthalate EXXONMOBIL CHEMICAL COMPANY 2008-09-25 US disclosed
EP-1846492-A1 IMPROVEMENTS IN OR RELATING TO PLASTICISER COMPOSITIONS ExxonMobil Chemical Patents Inc. (US) 2007-10-24 EP disclosed
WO-2006077131-A1 IMPROVEMENTS IN OR RELATING TO PLASTICISER COMPOSITIONS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-07-27 WO disclosed