SCHEMBL4611401

SCHEMBL4611401

CC(C)C(=O)P1(=O)Oc2ccccc2O1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 5/20 0.37
GAA P10253 3/20 0.33
GPR84 Q9NQS5 3/20 0.33
MDM4 O15151 1/20 0.32
TP53 P04637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.31
CETP P11597 1/20 0.31
APAF1 O14727 1/20 0.31
PTGS2 P35354 1/20 0.31
KDM4E B2RXH2 1/20 0.31
DBH P09172 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL4610214 0.78 SMN1; SMN2 (0.39) P2RX4GAAGPR84ALDH1A1MAPT
SCHEMBL10765192 0.72 P2RX4 (0.37) P2RX4ALDH1A1MAPTKDM4E
SCHEMBL4612110 0.71 ALDH1A1 (0.33) P2RX4GAAGPR84L3MBTL1MEN1
SCHEMBL4610273 0.71 AKT1 (0.39) GPR84TP53MEN1ALDH1A1MAPT
SCHEMBL4609957 0.68 CES1 (0.42) P2RX4L3MBTL1MEN1ALDH1A1MAPT
SCHEMBL28107553 0.67 P2RX4 (0.48) P2RX4GAAL3MBTL1MEN1ALDH1A1
SCHEMBL2169864 0.64 ABCG2 (0.35) GPR84SMN1; SMN2ABCG2
SCHEMBL29415555 0.64 GPR84 (0.57) GPR84MEN1KMT2ASMN1; SMN2ABCG2
SCHEMBL5804639 0.64 GPR84 (0.57) GPR84MEN1KMT2ASMN1; SMN2ABCG2
SCHEMBL29598331 0.64 ABCG2 (0.35) GPR84SMN1; SMN2ABCG2

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