SCHEMBL2045733

SCHEMBL2045733

CCCCCCCCCCCCc1cccc(C(=O)OCCCCCCCCCCC)c1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.62
ALDH1A1 P00352 3/20 0.62
LMNA P02545 2/20 0.62
BID P55957 4/20 0.60
MCL1 Q07820 4/20 0.60
PPARA Q07869 3/20 0.60
KAT8 Q9H7Z6 3/20 0.60
BCL2L1 Q07817 3/20 0.60
BAK1 Q16611 3/20 0.60
PPARG P37231 2/20 0.60
SAE1 Q9UBE0 2/20 0.60
EP300 Q09472 2/20 0.60
KAT5 Q92993 2/20 0.60
KAT2A Q92830 1/20 0.60
KAT2B Q92831 1/20 0.60
TP53 P04637 1/20 0.60
CYP3A4 P08684 1/20 0.60
MAPK1 P28482 1/20 0.60
KDM4E B2RXH2 3/20 0.56
HSD17B10 Q99714 2/20 0.56

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
Hexane SCHEMBL27655960 1.00 TSHR (0.62) TSHRALDH1A1LMNABIDMCL1
SCHEMBL9568678 1.00 TSHR (0.62) TSHRALDH1A1LMNABIDMCL1
SCHEMBL28854776 1.00 TSHR (0.62) TSHRALDH1A1LMNABIDMCL1
SCHEMBL1984830 1.00 TSHR (0.62) TSHRALDH1A1LMNABIDMCL1
SCHEMBL1982048 1.00 TSHR (0.62) TSHRALDH1A1LMNABIDMCL1
SCHEMBL21225342 1.00 TSHR (0.62) TSHRALDH1A1LMNABIDMCL1
Benzene SCHEMBL28772136 1.00 TSHR (0.62) TSHRALDH1A1LMNABIDMCL1
Decane SCHEMBL28847603 1.00 TSHR (0.62) TSHRALDH1A1LMNABIDMCL1
SCHEMBL11582383 1.00 TSHR (0.62) TSHRALDH1A1LMNABIDMCL1
Octane SCHEMBL27554014 1.00 TSHR (0.62) TSHRALDH1A1LMNABIDMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130225851-A1 Plasticizer EXXONMOBIL CHEMICAL PATENTS INC. (US) 2013-08-29 US disclosed
EP-1663940-B1 IMPROVEMENTS IN OR RELATING TO PHTHALATE PLASTICISER ESTERS EXXONMOBIL CHEM PATENTS INC (US) 2012-06-20 EP disclosed
EP-2338870-A1 Improvements in or relating to phthalate plasticiser esters ExxonMobil Chemical Patents Inc. (US) 2011-06-29 EP disclosed
US-20070105999-A1 Plasticiser EXXON-MOBIL CHEMICAL PATENTS INC. (US) 2007-05-10 US disclosed
EP-1663940-A1 IMPROVEMENTS IN OR RELATING TO PHTHALATE PLASTICISER ESTERS ExxonMobil Chemical Patents Inc. (US) 2006-06-07 EP disclosed
WO-2005021482-A1 IMPROVEMENTS IN OR RELATING TO PHTHALATE PLASTICISER ESTERS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-03-10 WO disclosed
EP-0973811-B1 SELF-LIGHT-STABILIZED PHOTOCHROMIC POLYMER, ITS PREPARATION AND ARTICLES CONTAINING SAME CORNING SA (FR) 2003-01-15 EP disclosed
US-6476103-B1 Photochromic organic material, its manufacture and the photochromic articles containing it CORNING INCORPORATED 2002-11-05 US disclosed
EP-0973811-A4 SELF-LIGHT-STABILIZED PHOTOCHROMIC POLYMER, ITS PREPARATION AND ARTICLES CONTAINING SAME CORNING SA (FR) 2000-07-12 EP disclosed
EP-0973811-A1 SELF-LIGHT-STABILIZED PHOTOCHROMIC POLYMER, ITS PREPARATION AND ARTICLES CONTAINING SAME CORNING INCORPORATED (US) 2000-01-26 EP disclosed
EP-0931278-A4 PHOTOCHROMIC ORGANIC MATERIAL, ITS MANUFACTURE AND THE PHOTOCHROMIC ARTICLES CONTAINING IT CORNING INC (US) 1999-12-29 EP disclosed
EP-0931278-A1 PHOTOCHROMIC ORGANIC MATERIAL, ITS MANUFACTURE AND THE PHOTOCHROMIC ARTICLES CONTAINING IT CORNING INCORPORATED (US) 1999-07-28 EP disclosed
WO-1998045341-A1 SELF-LIGHT-STABILIZED PHOTOCHROMIC POLYMER, ITS PREPARATION AND ARTICLES CONTAINING SAME CORNING INCORPORATED (US) 1998-10-15 WO disclosed
WO-1998016863-A1 PHOTOCHROMIC ORGANIC MATERIAL, ITS MANUFACTURE AND THE PHOTOCHROMIC ARTICLES CONTAINING IT CORNING INCORPORATED (US) 1998-04-23 WO disclosed