SCHEMBL4329641

SCHEMBL4329641

CC1(C)OCC(CNC(=O)O)C(CO)O1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.35
TBXA2R P21731 1/20 0.33
HCRTR2 O43614 3/20 0.32
HCRTR1 O43613 2/20 0.32
TMEM97 Q5BJF2 2/20 0.32
SIGMAR1 Q99720 2/20 0.32
TBXAS1 P24557 4/20 0.32

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
SCHEMBL4337430 0.84 CA2 (0.33) CA2TBXA2RTBXAS1
SCHEMBL14723987 0.78 ACHE (0.38)
SCHEMBL12894134 0.78 ACHE (0.38)
SCHEMBL12880726 0.77 LMNA (0.41) TMEM97SIGMAR1
SCHEMBL14713207 0.76 FUCA1 (0.32) CA2
SCHEMBL15226041 0.76 CA2 (0.54) CA2HCRTR2HCRTR1TMEM97SIGMAR1
SCHEMBL10780493 0.75 CA2 (0.31) CA2
SCHEMBL8701326 0.73 TBXA2R (0.34) CA2TBXA2RTBXAS1
SCHEMBL8701332 0.73 TBXA2R (0.34) CA2TBXA2RTBXAS1
SCHEMBL8701328 0.73 TBXA2R (0.34) CA2TBXA2RTBXAS1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049543-B1 ACYCLIC AMINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE CALLAGHAN INNOVATION RES LTD (NZ) 2014-11-05 EP disclosed
US-8383636-B2 Acyclic amine inhibitors of 5-methytioadenosine phosphorylase and nucleosidase INDUSTRIAL RESEARCH LIMITED (NZ) 2013-02-26 US disclosed
EP-2049543-A1 ACYCLIC AMINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE INDUSTRIAL RESEARCH LIMITED (NZ) 2009-04-22 EP disclosed
WO-2008030118-A1 ACYCLIC AMINE INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND NUCLEOSIDASE INDUSTRIAL RESEARCH LIMITED (NZ) 2008-03-13 WO disclosed