SCHEMBL377359

SCHEMBL377359

O=C(O)Oc1ccc(OC(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
THRB P10828 1/20 0.42
ALDH1A1 P00352 7/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
HSPB1 P04792 1/20 0.42
HPSE Q9Y251 1/20 0.42
PDK1 Q15118 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 1/20 0.41
PDE7A Q13946 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PRSS1 P07477 1/20 0.40
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL11200639 0.89 ALDH1A1 (0.52) MAPTTHRBALDH1A1KMT2AMEN1
SCHEMBL11128553 0.88 MAPT (0.45) MAPTTHRBALDH1A1KMT2AMEN1
SCHEMBL16493484 0.87 KMT2A (0.49) MAPTALDH1A1KMT2AHPSELMNA
SCHEMBL3644796 0.86 CASP6 (0.43) MAPTALDH1A1KMT2AMEN1LMNA
SCHEMBL11215385 0.85 GAA (0.51) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL2402136 0.83 TTR (0.55) MAPTALDH1A1KMT2AMEN1HSPB1
SCHEMBL2402141 0.83 TTR (0.55) MAPTALDH1A1KMT2AMEN1HSPB1
SCHEMBL11316665 0.81 KDM4E (0.57) MAPTALDH1A1SMN1; SMN2LMNAMAPK1
SCHEMBL11190279 0.81 TSHR (0.58) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL10879659 0.81 LMNA (0.58) MAPTALDH1A1KMT2AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2739169-B1 POROUS CATALYTIC MATRICES FOR ELIMINATION OF TOXICANTS FOUND IN TOBACCO COMBUSTION PRODUCTS MASSACHUSETTS INST TECHNOLOGY (US) 2019-06-12 EP claimed
EP-1687462-B1 METHOD FOR ELECTROCHEMICAL PRODUCTION OF A CRYSTALLINE POROUS METAL ORGANIC SKELETON MATERIAL FRAUNHOFER GES FORSCHUNG (DE) 2019-03-13 EP disclosed
EP-2798013-B1 ANTI-REFLECTIVE COATING LEIBNIZ INST FÜR NEUE MATERIALIEN GEMEINNÜTZIGE GMBH (DE) 2016-08-17 EP disclosed
EP-2168971-B1 Fluid absorption by metal-organic frameworks BASF SE (DE) 2016-08-03 EP disclosed
EP-2230288-B1 METAL-ORGANIC FRAMEWORKS IN REFRIGERATION/HEATING MACHINES BASF SE (DE) 2016-05-25 EP disclosed
EP-2408536-B1 PROCESS FOR SEPARATING ACID GASES USING AMINE IMPREGNATED METAL ORGANIC FRAMEWORKS BASF SE (DE) 2014-07-30 EP disclosed
EP-2117676-B1 METHOD FOR SEPARATING GASES USING A POROUS METAL ORGANIC FRAMEWORK MATERIAL BASF SE (DE) 2014-06-25 EP disclosed
EP-2408684-B1 BIOLOGICALLY DEGRADABLE MATERIAL BASED ON A POLYMERIC MATERIAL CONTAINING POROUS ORGANOMETALLIC NETWORKS BASF SE (DE) 2013-08-21 EP disclosed
EP-2013144-B1 METAL OXIDES PRODUCED FROM METAL-ORGANIC FRAMEWORK MATERIALS BASF SE (DE) 2012-10-03 EP disclosed
EP-2408536-A1 METHOD FOR SEPARATING ACID GASES USING METAL-ORGANIC FRAMEWORKS IMPREGNATED WITH AMINES BASF SE (DE) 2012-01-25 EP disclosed
WO-2006125739-A1 SUSPENSION FOR REDUCING ODOURS BASF AKTIENGESELLSCHAFT (DE) 2006-11-30 WO disclosed
WO-2006125761-A2 METHOD FOR PRODUCING POROUS METAL-ORGANIC FRAMEWORK MATERIALS BASF AKTIENGESELLSCHAFT (DE) 2006-11-30 WO disclosed
EP-1702925-A1 absorption of liquids by metal organic framework materials BASF AKTIENGESELLSCHAFT (DE) 2006-09-20 EP disclosed
EP-1689670-A1 METHOD FOR THE CONTROLLED STORAGE AND RELEASE OF GASES USING AN ELECTROCHEMICALLY PRODUCED CRYSTALLINE, POROUS, ORGANOMETALLIC SKELETON MATERIAL BASF AKTIENGESELLSCHAFT (DE) 2006-08-16 EP disclosed
EP-1687462-A1 METHOD FOR ELECTROCHEMICAL PRODUCTION OF A CRYSTALLINE POROUS METAL ORGANIC SKELETON MATERIAL BASF AKTIENGESELLSCHAFT (DE) 2006-08-09 EP disclosed
WO-2006072573-A2 ADSORPTIVE PRODUCTION OF XENON FROM KRYPTON/XENON GAS MIXTURES BASF AKTIENGESELLSCHAFT (DE) 2006-07-13 WO disclosed
EP-1674555-A1 Concentration of methane in methane containing gas mixtures by adsorption BASF AKTIENGESELLSCHAFT (DE) 2006-06-28 EP disclosed
WO-2005049892-A1 METHOD FOR ELECTROCHEMICAL PRODUCTION OF A CRYSTALLINE POROUS METAL ORGANIC SKELETON MATERIAL BASF AKTIENGESELLSCHAFT (DE) 2005-06-02 WO disclosed
WO-2005049484-A1 METHOD FOR THE CONTROLLED STORAGE AND RELEASE OF GASES USING AN ELECTROCHEMICALLY PRODUCED CRYSTALLINE, POROUS, ORGANOMETALLIC SKELETON MATERIAL BASF AKTIENGESELLSCHAFT (DE) 2005-06-02 WO disclosed
US-3954396-A MONOAZO CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1976-05-04 US disclosed