SCHEMBL2058461

SCHEMBL2058461

CCCCCCCC/C=C\CCCCCCCC(=O)N(CCC)CCC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.60
TERT O14746 3/20 0.59
PTPN1 P18031 3/20 0.59
PPARG P37231 3/20 0.59
PPARD Q03181 3/20 0.59
PPARA Q07869 3/20 0.59
CYP1A2 P05177 2/20 0.59
MAPT P10636 2/20 0.59
CYP2C19 P33261 2/20 0.59
BLM P54132 2/20 0.59
HSD17B10 Q99714 2/20 0.59
FABP4 P15090 2/20 0.59
FAAH O00519 2/20 0.59
KMT2A Q03164 2/20 0.59
GMNN O75496 1/20 0.59
USP2 O75604 1/20 0.59
LMNA P02545 1/20 0.59
POLB P06746 1/20 0.59
CYP2C9 P11712 1/20 0.59
ALOX15 P16050 1/20 0.59

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
SCHEMBL18248527 1.00 EPHX2 (0.60) EPHX2TERTPTPN1PPARGPPARD
SCHEMBL7230886 1.00 EPHX2 (0.60) EPHX2TERTPTPN1PPARGPPARD
SCHEMBL4950683 0.97 EPHX2 (0.57) EPHX2TERTPTPN1PPARGPPARD
SCHEMBL18248579 0.95 ALDH1A1 (0.63) EPHX2PPARGPPARDPPARAHSD17B10
SCHEMBL2058963 0.93 EPHX2 (0.57) EPHX2TERTPTPN1PPARGPPARD
SCHEMBL23430163 0.93 EPHX2 (0.65) EPHX2TERTPTPN1PPARGPPARD
SCHEMBL5268072 0.93 EPHX2 (0.60) EPHX2TERTPTPN1PPARGPPARD
SCHEMBL29062896 0.93 EPHX2 (0.65) EPHX2TERTPTPN1PPARGPPARD
SCHEMBL10488428 0.93 EPHX2 (0.65) EPHX2TERTPTPN1PPARGPPARD
SCHEMBL5268075 0.93 EPHX2 (0.60) EPHX2TERTPTPN1PPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3297621-A1 A METHOD FOR TREATING PERIPHERAL INFLAMMATORY DISEASE Dublin City University (IE) 2018-03-28 EP claimed
WO-2016185025-A1 A METHOD FOR TREATING PERIPHERAL INFLAMMATORY DISEASE DUBLIN CITY UNIVERSITY (IE) 2016-11-24 WO claimed
US-7968750-B2 Process for producing nitrogen-containing compounds KAO CORPORATION (JP) 2011-06-28 US claimed
CN-109609213-A Purposes of the complex ester in fuel 巴斯夫欧洲公司 2019-04-12 CN disclosed
CN-105765039-B Use of complex esters in fuels 巴斯夫欧洲公司 2019-02-12 CN disclosed
EP-3297621-A1 A METHOD FOR TREATING PERIPHERAL INFLAMMATORY DISEASE Dublin City University (IE) 2018-03-28 EP disclosed
WO-2016185025-A1 A METHOD FOR TREATING PERIPHERAL INFLAMMATORY DISEASE DUBLIN CITY UNIVERSITY (IE) 2016-11-24 WO disclosed
WO-2016185025-A1 A METHOD FOR TREATING PERIPHERAL INFLAMMATORY DISEASE DUBLIN CITY UNIVERSITY (IE) 2016-11-24 WO disclosed
EP-3095444-A1 A METHOD OF TREATING PERIPHERAL INFLAMMATORY DISEASE Dublin City University (IE) 2016-11-23 EP disclosed
EP-3095444-A1 A METHOD OF TREATING PERIPHERAL INFLAMMATORY DISEASE Dublin City University (IE) 2016-11-23 EP disclosed
CN-105504198-A Polyester polyol-containing polyurethane systems having improved hydrolytic stability AIR PROD & CHEM 2016-04-20 CN disclosed
CN-101367906-A Polyurethane systems containing polyester polyols with improved hydrolytic stability AIR PROD & CHEM (US) 2009-02-18 CN disclosed