SCHEMBL4610214

SCHEMBL4610214

CC(=O)P1(=O)Oc2ccccc2O1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.37
NOTUM Q6P988 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
NAPRT Q6XQN6 1/20 0.34
HSD17B10 Q99714 1/20 0.34
P2RX4 Q99571 4/20 0.34
GPR84 Q9NQS5 2/20 0.34
CYP2C9 P11712 1/20 0.34
HSD17B3 P37058 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL4611401 0.78 P2RX4 (0.37) SMN1; SMN2GAAALDH1A1P2RX4GPR84
SCHEMBL4612110 0.78 ALDH1A1 (0.33) SMN1; SMN2GAAALDH1A1LMNAHTT
SCHEMBL4609957 0.75 CES1 (0.42) SMN1; SMN2ALDH1A1LMNACES2CES1
SCHEMBL4610273 0.73 AKT1 (0.39) SMN1; SMN2ALDH1A1HTTHSD17B10GPR84
SCHEMBL10720137 0.73 POLB (0.36) SMN1; SMN2GAAALDH1A1NOTUMLMNA
SCHEMBL10765192 0.71 P2RX4 (0.37) ALDH1A1LMNAP2RX4KDM4EMAPT
SCHEMBL12284079 0.71 POLB (0.33) SMN1; SMN2GAALMNAHTT
SCHEMBL5804639 0.70 GPR84 (0.57) SMN1; SMN2GPR84KDM4E
SCHEMBL2169864 0.70 ABCG2 (0.35) SMN1; SMN2LMNAHTTGPR84
SCHEMBL29415555 0.70 GPR84 (0.57) SMN1; SMN2GPR84KDM4E

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