SCHEMBL4609596

SCHEMBL4609596

Cc1ccc(C(=O)P(=O)(OCC(C)C)OCC(C)C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 2/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
MAPT P10636 3/20 0.40
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
SRD5A2 P31213 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GSK3B P49841 1/20 0.38
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
SCHEMBL4612366 0.85 CYP3A4 (0.44) ALDH1A1LMNAADRB2ADRB1ADRB3
SCHEMBL4612083 0.84 CA1 (0.47) ALDH1A1LMNAADRB2ADRB1ADRB3
SCHEMBL779782 0.81 ALDH1A1 (0.59) ALDH1A1LMNAGAAMAPTCES2
SCHEMBL781343 0.78 ALDH1A1 (0.46) ALDH1A1LMNAGAAMAPTCES2
SCHEMBL11518818 0.78 LMNA (0.45) ALDH1A1LMNAMAPTKMT2ATDP1
SCHEMBL4609433 0.77 CYP3A4 (0.51) ALDH1A1LMNATDP1L3MBTL1CYP3A4
SCHEMBL4611001 0.77 ALDH1A1 (0.44) ALDH1A1LMNAGAAMAPTCES2
SCHEMBL4609525 0.75 TSHR (0.51) LMNAMAPTCES2CES1KMT2A
SCHEMBL4609993 0.75 ALDH1A1 (0.42) ALDH1A1LMNAGAAMAPTCES2
SCHEMBL780152 0.75 L3MBTL1 (0.46) ALDH1A1LMNAMAPTCES2CES1

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 8 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
US-4164394-A USING AN ACYLPHOSPHONATE AS ACTIVATOR FMC CORPORATION (US) 1979-08-14 US disclosed