SCHEMBL4609809

SCHEMBL4609809

Cc1ccccc1C(=O)P(=O)(Oc1cccc2ccccc12)Oc1cccc2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 2/20 0.43
GAA P10253 2/20 0.43
PGR P06401 1/20 0.43
PTGS1 P23219 1/20 0.43
MAPK1 P28482 1/20 0.43
PLK1 P53350 1/20 0.43
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP2A6 P11509 1/20 0.41
MMP3 P08254 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
OGG1 O15527 1/20 0.40

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
SCHEMBL4609824 0.88 KMT2A (0.49) KMT2AMEN1ALDH1A1HSD17B10GAA
SCHEMBL10277598 0.81 LMNA (0.49) KMT2AMEN1SMN1; SMN2HSD17B10GAA
SCHEMBL4609807 0.80 RAB9A (0.43) KMT2AMEN1ESR1ESR2ALDH1A1
SCHEMBL4610968 0.79 ALDH1A1 (0.49) KMT2AMEN1SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL4611553 0.79 ALDH1A1 (0.54) KMT2AMEN1ALDH1A1HSD17B10GAA
SCHEMBL27948132 0.76 KMT2A (0.73) KMT2AMEN1ESR1ESR2SMN1; SMN2
SCHEMBL779617 0.75 HPGD (0.46) KMT2AALDH1A1HSD17B10KDM4EHPGD
SCHEMBL4611476 0.75 NPC1 (0.54) KMT2AESR1ESR2SMN1; SMN2ALDH1A1
SCHEMBL4612096 0.75 TSHR (0.48) KMT2AMEN1ALDH1A1HSD17B10GAA
SCHEMBL4610235 0.75 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1HSD17B10GAA

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