SCHEMBL779382

SCHEMBL779382

Cc1ccc(C(=O)P(=O)(OC2CCCCC2)OC2CCCCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
RAB9A P51151 4/20 0.50
NPC1 O15118 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
CYP1A2 P05177 1/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50
MMP13 P45452 1/20 0.44
POLB P06746 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
SCN1A P35498 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
ADCY1 Q08828 1/20 0.39
GAA P10253 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EPHX1 P07099 1/20 0.38

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
SCHEMBL4610700 0.98 MEN1 (0.52) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL4612324 0.95 MEN1 (0.49) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL4610255 0.85 RAB9A (0.49) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL4611369 0.84 POLB (0.44) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL4610460 0.83 MAPK1 (0.48) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL4612175 0.82 ELANE (0.42) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL4612155 0.80 RAB9A (0.45) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL10277616 0.80 RAB9A (0.42) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL4609874 0.79 ATM (0.39) MEN1KMT2ARAB9ANPC1SMN1; SMN2
SCHEMBL777330 0.78 MMP13 (0.50) MEN1KMT2ARAB9ANPC1SMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9343777-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-05-17 US disclosed
US-9252457-B2 Non-aqueous liquid electrolyte and non-aqueous liquid electrolyte secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2016-02-02 US disclosed
US-20120177988-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-07-12 US disclosed
US-20120070731-A1 NON-AQUEOUS LIQUID ELECTROLYTE AND NON-AQUEOUS LIQUID ELECTROLYTE SECONDARY BATTERY MITSUBISHI CHEMICAL CORPORATION (JP) 2012-03-22 US disclosed
EP-1419182-B1 IRON-BASED CATALYST COMPOSITION FOR THE MANUFACTURE OF SYNDIOTACTIC 1,2-POLYBUTADIENE BRIDGESTONE CORP (JP) 2008-10-15 EP disclosed
EP-1419182-A1 IRON-BASED CATALYST COMPOSITION FOR THE MANUFACTURE OF SYNDIOTACTIC 1,2-POLYBUTADIENE Bridgestone Corporation (JP) 2004-05-19 EP disclosed
US-6610804-B2 An iron compound, an alpha-acylphosphonate diester, and an organoaluminum compound BRIDGESTONE CORPORATION (JP) 2003-08-26 US disclosed
US-6576725-B1 Iron compound, organomagnesium compound, and alpha-acylphosphonate diester; addition polymerization BRIDGESTONE CORPORATION (JP) 2003-06-10 US disclosed
US-20030073790-A1 Iron-based catalyst composition for the manufacture of syndiotactic 1, 2-polybutadiene BRIDGESTONE CORP. 2003-04-17 US disclosed
US-20030073570-A1 Method of preparing oligomers of conjugated dienes with an iron-based catalyst composition BRIDGESTONE CORP. 2003-04-17 US disclosed
WO-2003018644-A1 IRON-BASED CATALYST COMPOSITION FOR THE MANUFACTURE OF SYNDIOTACTIC 1,2-POLYBUTADIENE BRIDGESTONE CORPORATION (JP) 2003-03-06 WO disclosed