SCHEMBL4609527

SCHEMBL4609527

Cc1ccccc1C(=O)P(=O)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.50
TSHR P16473 2/20 0.50
GAA P10253 1/20 0.50
RECQL P46063 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CETP P11597 3/20 0.47
HPGD P15428 3/20 0.46
KMT2A Q03164 2/20 0.45
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MAPK1 P28482 1/20 0.43
PDPK1 O15530 1/20 0.43
MTOR P42345 1/20 0.43
GPR52 Q9Y2T5 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL779439 0.82 KMT2A (0.58) SMN1; SMN2TSHRGAAL3MBTL1HPGD
SCHEMBL4609525 0.79 TSHR (0.51) TSHRL3MBTL1CETPKMT2ANPC1
SCHEMBL776757 0.79 KMT2A (0.49) SMN1; SMN2TSHRGAAL3MBTL1HPGD
SCHEMBL4610744 0.79 NR4A1 (0.49) SMN1; SMN2TSHRGAAL3MBTL1HPGD
SCHEMBL4609532 0.78 TSHR (0.58) TSHRCETPKMT2ANPC1RAB9A
SCHEMBL4609601 0.78 ALDH1A1 (0.47) SMN1; SMN2TSHRGAAL3MBTL1HPGD
SCHEMBL4611005 0.78 KMT2A (0.42) SMN1; SMN2GAAL3MBTL1HPGDKMT2A
SCHEMBL777395 0.77 TSHR (0.49) TSHRL3MBTL1KMT2AMAPK1ALDH1A1
SCHEMBL4609994 0.77 KMT2A (0.41) SMN1; SMN2GAAL3MBTL1HPGDKMT2A
SCHEMBL4610334 0.76 TSHR (0.60) TSHRL3MBTL1CETPKMT2ANPC1

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-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