SCHEMBL4609348

SCHEMBL4609348

CC(C)C(=O)P(=O)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
CETP P11597 3/20 0.50
FOLH1 Q04609 1/20 0.48
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.45
MAOB P27338 1/20 0.42
MAPK1 P28482 1/20 0.42
ELANE P08246 1/20 0.42
SRD5A2 P31213 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL4610334 0.80 TSHR (0.60) TSHRCETPFOLH1ALDH1A1MAOB
SCHEMBL7520596 0.77 TSHR (0.67) TSHRCETPFOLH1ALDH1A1MAPK1
SCHEMBL11333838 0.77 TSHR (0.56) TSHRCETPFOLH1ALDH1A1MAOB
SCHEMBL4609918 0.77 TSHR (0.56) TSHRCETPFOLH1ALDH1A1MAOB
SCHEMBL11592226 0.77 TSHR (0.60) TSHRCETPFOLH1ALDH1A1MAPK1
SCHEMBL4609922 0.76 CETP (0.55) TSHRCETPFOLH1ALDH1A1MAPK1
SCHEMBL11303293 0.76 TSHR (0.55) TSHRCETPFOLH1ALDH1A1KDM4E
SCHEMBL4610294 0.76 TSHR (0.55) TSHRCETPFOLH1ALDH1A1MAOB
SCHEMBL16996800 0.75 TSHR (0.58) TSHRCETPFOLH1ALDH1A1MAOB
SCHEMBL18307755 0.75 TSHR (0.63) TSHRCETPFOLH1ALDH1A1KDM4E

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