SCHEMBL777330

SCHEMBL777330

Cc1ccc(C(=O)P(=O)(OCC2CCCCC2)OCC2CCCCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.50
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
CYP1A2 P05177 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
PARP15 Q460N3 3/20 0.43
PARP10 Q53GL7 3/20 0.43
P2RY14 Q15391 2/20 0.40
SRC P12931 1/20 0.40
POLB P06746 1/20 0.39
PARP2 Q9UGN5 1/20 0.38
SSTR3 P32745 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 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
SCHEMBL778176 0.99 MMP13 (0.48) MMP13NPC1RAB9ACYP1A2HPGD
SCHEMBL777329 0.87 MMP13 (0.49) MMP13NPC1RAB9ACYP1A2HPGD
SCHEMBL779772 0.86 KMT2A (0.49) MMP13NPC1RAB9ACYP1A2HPGD
SCHEMBL4611314 0.86 POLB (0.49) NPC1RAB9ASMN1; SMN2PARP15PARP10
SCHEMBL778175 0.86 MMP13 (0.47) MMP13NPC1RAB9ACYP1A2HPGD
SCHEMBL4610547 0.85 SRC (0.47) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL779371 0.81 MEN1 (0.37) MMP13NPC1RAB9ACYP1A2HPGD
SCHEMBL779150 0.78 NPC1 (0.49) NPC1RAB9ACYP2C19MEN1KMT2A
SCHEMBL779382 0.78 MEN1 (0.55) MMP13NPC1RAB9ACYP1A2HPGD
SCHEMBL778501 0.78 RAB9A (0.36) MMP13NPC1RAB9ACYP1A2HPGD

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