SCHEMBL4610754

SCHEMBL4610754

Cc1ccccc1C(=O)P(=O)(OC(C)(C)C)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.42
DHODH Q02127 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
THRB P10828 2/20 0.40
ABCB1 P08183 1/20 0.40
TP53 P04637 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 4/20 0.39
KCNK3 O14649 2/20 0.39
KCNK9 Q9NPC2 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 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
SCHEMBL776959 0.80 NPC1 (0.46) HPGDDHODHSMN1; SMN2NPC1RAB9A
SCHEMBL4611005 0.79 KMT2A (0.42) HPGDDHODHSMN1; SMN2THRBNPC1
SCHEMBL4609949 0.79 PLK1 (0.50) HPGDTHRBTP53NPC1RAB9A
SCHEMBL779208 0.77 KMT2A (0.46) HPGDSMN1; SMN2THRBNPC1RAB9A
SCHEMBL4611016 0.77 TSHR (0.47) SMN1; SMN2KCNK9POLBMAPTALDH1A1
SCHEMBL779439 0.76 KMT2A (0.58) HPGDSMN1; SMN2THRBNPC1RAB9A
SCHEMBL779617 0.76 HPGD (0.46) HPGDNPC1RAB9AKMT2AMAPT
SCHEMBL2258548 0.75 HPGD (0.52) HPGDDHODHSMN1; SMN2NPC1RAB9A
SCHEMBL443122 0.75 HPGD (0.52) HPGDDHODHSMN1; SMN2NPC1RAB9A
SCHEMBL4609994 0.74 KMT2A (0.41) HPGDSMN1; SMN2THRBNPC1RAB9A

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