SCHEMBL6430720

SCHEMBL6430720

O=C=NCCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.56
FFAR4 Q5NUL3 1/20 0.56
LTA4H P09960 1/20 0.54
EPHX2 P34913 1/20 0.54
MMP12 P39900 1/20 0.52
BCHE P06276 4/20 0.51
MAOB P27338 2/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
CYP2C19 P33261 1/20 0.50
PTGS2 P35354 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HIF1A Q16665 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50

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
SCHEMBL25191915 0.84 PTGS1 (0.53) FFAR1FFAR4LTA4HEPHX2BCHE
Phenethyl Isocyanate SCHEMBL5918 0.83 MIF (0.63) LMNASLC6A2SLC6A3HIF1A
SCHEMBL15729871 0.79 NQO1 (0.48) CA12CA1CA2CA9LMNA
SCHEMBL13097950 0.78 FFAR1 (0.50) FFAR1FFAR4LTA4HEPHX2MMP12
SCHEMBL2587464 0.78 LTA4H (0.57) FFAR1FFAR4LTA4HEPHX2BCHE
SCHEMBL331135 0.77 MIF (0.48) CA12CA1CA2CA9HIF1A
SCHEMBL11783167 0.76 KDM4E (0.56) BCHELMNACYP1A2HDAC6
SCHEMBL4598946 0.76 TRPA1 (0.50) FFAR1MMP12CA12CA1CA2
SCHEMBL993322 0.76 LMNA (0.46) LMNACYP1A2HIF1AHDAC6L3MBTL1
SCHEMBL5543890 0.76 FFAR1 (0.58) FFAR1FFAR4LTA4HEPHX2BCHE

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-3345954-B1 POLYROTAXANE, PRODUCTION METHOD THEREFOR, AND OPTICAL COMPOSITION CONTAINING SAID POLYROTAXANE TOKUYAMA CORP (JP) 2023-07-05 EP disclosed
US-11578174-B2 Polyrotaxane, production method therefor, and optical composition containing said polyrotaxane TOKUYAMA CORPORATION (JP) 2023-02-14 US disclosed
CN-111154056-B Optical composition containing polyrotaxane 株式会社德山 2021-12-21 CN disclosed
CN-107922605-B Polyrotaxane, process for producing the same, and optical composition containing the same 株式会社德山 2020-12-11 CN disclosed
CN-111154056-A Optical composition containing polyrotaxane 株式会社德山 2020-05-15 CN disclosed
US-20200071467-A1 Polyrotaxane, Production Method Therefor, and Optical Composition Containing said Polyrotaxane TOKUYAMA CORPORATION (JP) 2020-03-05 US disclosed
US-20180312643-A1 Polyrotaxane, Production Method Therefor, and Optical Composition Containing said Polyrotaxane TOKUYAMA CORPORATION (JP) 2018-11-01 US disclosed
EP-3345954-A1 POLYROTAXANE, PRODUCTION METHOD THEREFOR, AND OPTICAL COMPOSITION CONTAINING SAID POLYROTAXANE Tokuyama Corporation (JP) 2018-07-11 EP disclosed
EP-0927049-B1 LABELLED ELASTASE INHIBITORS AMERSHAM PLC (GB) 2005-05-11 EP disclosed
US-6375926-B1 HUMAN LEUCOCYTE ELASTASE (HLE) INHIBITOR LABELLED WITH A DETECTABLE MOIETY WHERE THE INHIBITOR IS SYNTHETIC AND THE DETECTABLE MOIETY IS CHOSEN FROM A RADIOACTIVE ISOTOPE, A PARAMAGNETIC ION, A RADIOPAQUE COMPOUND AND AN ULTRASOUND AMERSHAM INTERNATIONAL PLC 2002-04-23 US disclosed
EP-0927049-A2 LABELLED ELASTASE INHIBITORS AMERSHAM INTERNATIONAL plc (GB) 1999-07-07 EP disclosed
WO-1998010800-A2 LABELLED ELASTASE INHIBITORS AMERSHAM INTERNATIONAL PLC (GB) 1998-03-19 WO disclosed