SCHEMBL777534

SCHEMBL777534

Cc1ccc(C(=O)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
LMNA P02545 4/20 0.50
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
MAPK14 Q16539 1/20 0.46
SRC P12931 1/20 0.46
ALDH1A1 P00352 4/20 0.45
NPSR1 Q6W5P4 1/20 0.45
POLB P06746 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
USP2 O75604 1/20 0.44
SRD5A2 P31213 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44

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
SCHEMBL777303 0.91 CYP3A4 (0.55) LMNACES2CES1CYP3A4TSHR
SCHEMBL13811169 0.88 MEN1 (0.46) MEN1KMT2ALMNACES2CES1
SCHEMBL275254 0.87 SRC (0.54) LMNACES2CES1TSHRSRC
SCHEMBL4610552 0.85 CES2 (0.56) KMT2ACES2CES1ALDH1A1NPC1
SCHEMBL779808 0.81 CYP2C19 (0.51) MEN1KMT2ALMNACYP3A4TSHR
SCHEMBL778356 0.80 CYP3A4 (0.43) MEN1KMT2ALMNACYP3A4TSHR
SCHEMBL10277660 0.79 LMNA (0.56) MEN1KMT2ALMNACES2CES1
SCHEMBL8107990 0.79 SRC (0.48) SRCNPC1RAB9ASMN1; SMN2
SCHEMBL10937098 0.78 MEN1 (0.49) MEN1KMT2ALMNACYP3A4TSHR
SCHEMBL13811162 0.77 KDM4E (0.50) MEN1KMT2ALMNASRCALDH1A1

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-20030073570-A1 Method of preparing oligomers of conjugated dienes with an iron-based catalyst composition BRIDGESTONE CORP. 2003-04-17 US disclosed
US-20030073790-A1 Iron-based catalyst composition for the manufacture of syndiotactic 1, 2-polybutadiene 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