SCHEMBL291698

SCHEMBL291698

O=C(O)OCC(=O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
HPGD P15428 3/20 0.59
MAPT P10636 4/20 0.56
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
MAPK1 P28482 2/20 0.56
KDM4E B2RXH2 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
CYP3A4 P08684 1/20 0.56
ALOX15 P16050 1/20 0.56
CES1 P23141 1/20 0.56
LMNA P02545 2/20 0.56
ESR1 P03372 1/20 0.56
ESR2 Q92731 1/20 0.56
HTT P42858 1/20 0.54
ALDH1A1 P00352 3/20 0.52
GSK3B P49841 2/20 0.52

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
SCHEMBL10809629 0.86 L3MBTL1 (0.59) L3MBTL1NPC1RAB9AHPGDMAPT
SCHEMBL291697 0.86 L3MBTL1 (0.59) L3MBTL1NPC1RAB9AHPGDMAPT
SCHEMBL24870921 0.84 NPC1 (0.58) L3MBTL1NPC1RAB9AHPGDMAPT
SCHEMBL83331 0.84 RAB9A (0.79) L3MBTL1NPC1RAB9AHPGDMAPT
SCHEMBL8592573 0.83 L3MBTL1 (0.56) L3MBTL1NPC1RAB9AHPGDMAPT
SCHEMBL1907159 0.83 NPC1 (0.61) L3MBTL1NPC1RAB9AHPGDMAPT
SCHEMBL29043248 0.83 RAB9A (0.77) L3MBTL1NPC1RAB9AHPGDMAPT
SCHEMBL6411152 0.83 L3MBTL1 (0.56) L3MBTL1NPC1RAB9AHPGDMAPT
SCHEMBL9547929 0.83 KMT2A (0.60) L3MBTL1NPC1RAB9AHPGDMAPT
SCHEMBL10769526 0.83 NPC1 (0.56) L3MBTL1NPC1RAB9AHPGDMAPT

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 375 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2727915-B1 Synthesis of deuterated catechols and benzo[d][1,3]dioxoles and derivatives thereof CONCERT PHARMACEUTICALS INC (US) 2016-04-13 EP claimed
EP-2727915-A1 Synthesis of deuterated catechols and benzo[d][1,3]dioxoles and derivatives thereof Concert Pharmaceuticals Inc. (US) 2014-05-07 EP claimed
EP-1778176-B1 COMPOSITION FOR COLOURING KERATIN-CONTAINING FIBRES HENKEL AG & CO KGAA (DE) 2012-07-25 EP claimed
EP-1432388-B1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL AG & CO KGAA (DE) 2008-06-18 EP claimed
EP-1909913-A1 METHOD FOR QUICKLY CONCEALING THE ROOTS OF HAIR THAT HAVE GROWN AFTER THE HAIR HAS BEEN DYED HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-04-16 EP claimed
EP-1789015-A1 METHOD FOR STYLISHLY CHANGING THE COLOR OF KERATINIC FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-05-30 EP claimed
EP-1778176-A2 MEANS FOR COLOURING KERATIN-CONTAINING FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2007-05-02 EP claimed
WO-2007017048-A1 METHOD FOR QUICKLY CONCEALING THE ROOTS OF HAIR THAT HAVE GROWN AFTER THE HAIR HAS BEEN DYED HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-02-15 WO claimed
EP-1534227-B1 AGENTS USED FOR DYEING KERATINOUS FIBERS HENKEL KGAA (DE) 2006-12-27 EP claimed
EP-1715836-A1 METHOD FOR DYEING FIBRES CONTAINING KERATINE Henkel Kommanditgesellschaft auf Aktien (DE) 2006-11-02 EP claimed
WO-2004058203-A2 AGENT FOR DYEING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (US) 2004-07-15 WO claimed
WO-2004058200-A1 AGENT FOR DYING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-07-15 WO claimed
EP-1434557-A1 AGENT FOR THE COLORATION OF KERATIN-CONTAINING FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2004-07-07 EP claimed
EP-1432388-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-30 EP claimed
EP-1433469-A1 Composition for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-30 EP claimed
WO-2004022016-A1 AGENTS USED FOR DYEING KERATINOUS FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-03-18 WO claimed
WO-2003030845-A1 AGENT FOR THE COLORATION OF KERATIN-CONTAINING FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
WO-2003030847-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
EP-1300132-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP claimed
EP-1300133-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP claimed