SCHEMBL4609525

SCHEMBL4609525

Cc1ccc(C(=O)P(=O)(OCc2ccccc2)OCc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
NPC1 O15118 4/20 0.51
RAB9A P51151 4/20 0.51
LMNA P02545 2/20 0.48
CETP P11597 3/20 0.48
KMT2A Q03164 3/20 0.47
POLB P06746 3/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
SCN2A Q99250 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
SCHEMBL4609532 0.90 TSHR (0.58) TSHRNPC1RAB9ALMNACETP
SCHEMBL4611212 0.84 NPC1 (0.61) TSHRNPC1RAB9AKMT2APOLB
SCHEMBL779782 0.80 ALDH1A1 (0.59) NPC1RAB9ALMNAKMT2AMEN1
SCHEMBL4609527 0.79 SMN1; SMN2 (0.50) TSHRNPC1RAB9ALMNACETP
SCHEMBL4610334 0.78 TSHR (0.60) TSHRNPC1RAB9ALMNACETP
SCHEMBL781343 0.77 ALDH1A1 (0.46) NPC1LMNAKMT2AMEN1MAPT
SCHEMBL777534 0.77 MEN1 (0.50) TSHRNPC1RAB9ALMNAKMT2A
SCHEMBL13811173 0.76 CETP (0.44) TSHRLMNACETPKMT2AMEN1
SCHEMBL4609596 0.75 ALDH1A1 (0.44) NPC1RAB9ALMNAKMT2AMEN1
SCHEMBL4611001 0.75 ALDH1A1 (0.44) TSHRNPC1RAB9ALMNAMAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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