SCHEMBL4612110

SCHEMBL4612110

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
HBB P68871 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 3/20 0.32
CYP2C19 P33261 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MEN1 O00255 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
NR3C1 P04150 1/20 0.32
HSD11B1 P28845 1/20 0.32
ELANE P08246 1/20 0.32
GAA P10253 1/20 0.32
HIF1A Q16665 1/20 0.31
P2RX4 Q99571 2/20 0.31
GPR84 Q9NQS5 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) ALDH1A1HSD17B10LMNAHTTSMN1; SMN2
SCHEMBL4611401 0.71 P2RX4 (0.37) ALDH1A1KMT2ASMN1; SMN2MEN1MAPT
SCHEMBL29598331 0.69 ABCG2 (0.35) LMNAHTTSMN1; SMN2PKMGPR84
SCHEMBL2169864 0.69 ABCG2 (0.35) LMNAHTTSMN1; SMN2PKMGPR84
SCHEMBL4609957 0.68 CES1 (0.42) ALDH1A1HSD17B10LMNAKMT2ACYP2C19
SCHEMBL4610273 0.67 AKT1 (0.39) ALDH1A1HSD17B10HTTKMT2ASMN1; SMN2
SCHEMBL10765192 0.64 P2RX4 (0.37) ALDH1A1LMNAMAPTP2RX4
SCHEMBL5804639 0.64 GPR84 (0.57) KMT2ASMN1; SMN2MEN1GPR84
SCHEMBL29415555 0.64 GPR84 (0.57) KMT2ASMN1; SMN2MEN1GPR84
SCHEMBL27539091 0.64 GPR84 (0.57) KMT2ASMN1; SMN2MEN1GPR84

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-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