SCHEMBL4609874

SCHEMBL4609874

O=C(c1ccccc1)P(=O)(OC1CCC1)OC1CCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
ALDH1A1 P00352 3/20 0.39
ELANE P08246 2/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
CHRNA7 P36544 2/20 0.37
LMNA P02545 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PARP10 Q53GL7 1/20 0.37
MCL1 Q07820 1/20 0.37
CHRNB2 P17787 1/20 0.36
CHRNA5 P30532 1/20 0.36
CHRNA4 P43681 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 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
SCHEMBL4612175 0.97 ELANE (0.42) ALDH1A1ELANEPOLBNPC1RAB9A
SCHEMBL4611369 0.95 POLB (0.44) ALDH1A1ELANEPOLBNPC1RAB9A
SCHEMBL4612324 0.83 MEN1 (0.49) ALDH1A1POLBNPC1RAB9ALMNA
SCHEMBL4612155 0.81 RAB9A (0.45) NPC1RAB9ALMNAMEN1KMT2A
SCHEMBL4610700 0.80 MEN1 (0.52) ALDH1A1POLBNPC1RAB9ALMNA
SCHEMBL779382 0.79 MEN1 (0.55) ALDH1A1POLBNPC1RAB9ALMNA
SCHEMBL4612329 0.78 NPC1 (0.47) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4610460 0.78 MAPK1 (0.48) ALDH1A1NPC1RAB9ALMNAMEN1
SCHEMBL4612160 0.77 ALDH1A1 (0.43) ALDH1A1ELANEPOLBNPC1RAB9A
SCHEMBL4610255 0.76 RAB9A (0.49) ALDH1A1POLBNPC1RAB9ALMNA

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