SCHEMBL3220484

SCHEMBL3220484

CCCCCCCOC(=O)c1ccccc1C(C)C

nearest known ligand 0.77

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.77
TSHR P16473 4/20 0.77
LMNA P02545 2/20 0.77
CYP3A4 P08684 2/20 0.73
MAPK1 P28482 2/20 0.73
TP53 P04637 1/20 0.73
HSD17B10 Q99714 2/20 0.67
KDM4E B2RXH2 2/20 0.67
POLB P06746 1/20 0.67
L3MBTL1 Q9Y468 3/20 0.66
TDP1 Q9NUW8 2/20 0.66
MAPT P10636 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL13712983 0.94 TSHR (0.75) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL451074 0.89 ALDH1A1 (0.68) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL7219181 0.87 ALDH1A1 (1.00) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL14891680 0.87 ALDH1A1 (1.00) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL8609367 0.87 ALDH1A1 (1.00) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL2527136 0.87 ALDH1A1 (1.00) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL81945 0.87 ALDH1A1 (1.00) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL2472738 0.87 ALDH1A1 (1.00) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL5072881 0.87 ALDH1A1 (1.00) ALDH1A1TSHRLMNACYP3A4MAPK1
SCHEMBL4210493 0.87 ALDH1A1 (1.00) ALDH1A1TSHRLMNACYP3A4MAPK1

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