SCHEMBL4611005

SCHEMBL4611005

Cc1ccccc1C(=O)P(=O)(OCC(C)(C)C)OCC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
THRB P10828 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 3/20 0.40
ERCC5 P28715 1/20 0.38
FEN1 P39748 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
SMN1; SMN2 Q16637 5/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
GAA P10253 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 2/20 0.37
DHODH Q02127 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL4609994 0.86 KMT2A (0.41) KMT2AMAPTLMNAHTTTHRB
SCHEMBL779439 0.82 KMT2A (0.58) KMT2AMAPTLMNAHTTTHRB
SCHEMBL4610278 0.81 PLK1 (0.46) KMT2AMAPTLMNATHRBL3MBTL1
SCHEMBL776757 0.79 KMT2A (0.49) KMT2AMAPTLMNAHTTTHRB
SCHEMBL4612106 0.79 PRSS1 (0.44) LMNAHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL4610754 0.79 HPGD (0.42) KMT2AMAPTLMNAHTTTHRB
SCHEMBL4609601 0.78 ALDH1A1 (0.47) KMT2AMAPTLMNAHTTTHRB
SCHEMBL4609527 0.78 SMN1; SMN2 (0.50) KMT2AMAPTLMNAHTTL3MBTL1
SCHEMBL777395 0.77 TSHR (0.49) KMT2AMAPTLMNAHTTTHRB
SCHEMBL776959 0.76 NPC1 (0.46) KMT2AMAPTLMNAHTTHPGD

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