SCHEMBL672247

SCHEMBL672247

O=C(O)CCc1cc(C(=O)O)c(CCC(=O)O)cc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.56
KEAP1 Q14145 1/20 0.43
F13A1 P00488 3/20 0.42
POLB P06746 1/20 0.42
PTGER1 P34995 1/20 0.42
PTGER4 P35408 1/20 0.42
PTGER3 P43115 1/20 0.42
PTGER2 P43116 1/20 0.42
FFAR1 O14842 3/20 0.40
ITGB3 P05106 1/20 0.39
ITGAV P06756 1/20 0.39
ITGA2B P08514 1/20 0.39
HPGD P15428 2/20 0.39
FFAR4 Q5NUL3 1/20 0.39
GPR17 Q13304 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HMGB1 P09429 1/20 0.37
CXCL12 P48061 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL14944745 0.82 NPSR1 (0.41) NPSR1KEAP1F13A1POLBPTGER1
SCHEMBL10784805 0.81 NPSR1 (0.47) NPSR1KEAP1POLBPTGER1PTGER4
SCHEMBL20434221 0.78 NPSR1 (0.53) NPSR1POLBPTGER1PTGER4PTGER3
SCHEMBL4814721 0.78 APEX1 (0.55) NPSR1POLBFFAR1ITGB3ITGAV
SCHEMBL5500307 0.78 SMN1; SMN2 (0.53) NPSR1FFAR1HPGDFFAR4GPR17
SCHEMBL18397695 0.78 APEX1 (0.51) NPSR1KEAP1POLBFFAR1HPGD
SCHEMBL29151337 0.78 PTPN1 (0.42) HPGDHMGB1CXCL12ALDH1A1HSD17B10
SCHEMBL28353593 0.76 HMGB1 (0.37) HPGDHMGB1CXCL12ALDH1A1HSD17B10
SCHEMBL29062 0.76 FOLH1 (0.66) NPSR1KEAP1PTGER1PTGER4PTGER3
SCHEMBL7095783 0.76 NPSR1 (0.45) NPSR1KEAP1POLBPTGER1PTGER4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9217109-B2 Polymer-stabilised liquid-crystal media and displays MERCK PATENT GMBH (DE) 2015-12-22 US disclosed
US-9217109-B2 Polymer-stabilised liquid-crystal media and displays MERCK PATENT GMBH (DE) 2015-12-22 US disclosed
EP-2596082-B1 POLYMER-STABILIZED LIQUID-CRYSTAL MEDIA AND DISPLAYS MERCK PATENT GMBH (DE) 2015-11-04 EP disclosed
EP-2596082-B1 POLYMER-STABILIZED LIQUID-CRYSTAL MEDIA AND DISPLAYS MERCK PATENT GMBH (DE) 2015-11-04 EP disclosed
EP-2596082-A1 POLYMER-STABILIZED LIQUID-CRYSTAL MEDIA AND DISPLAYS Merck Patent GmbH (DE) 2013-05-29 EP disclosed
US-20130119311-A1 POLYMER-STABILISED LIQUID-CRYSTAL MEDIA AND DISPLAYS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-05-16 US disclosed
US-20130119311-A1 POLYMER-STABILISED LIQUID-CRYSTAL MEDIA AND DISPLAYS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-05-16 US disclosed
WO-2012022388-A1 POLYMER-STABILIZED LIQUID-CRYSTAL MEDIA AND DISPLAYS MERCK PATENT GMBH (DE) 2012-02-23 WO disclosed
WO-2012022388-A1 POLYMER-STABILIZED LIQUID-CRYSTAL MEDIA AND DISPLAYS MERCK PATENT GMBH (DE) 2012-02-23 WO disclosed