SCHEMBL1509010

SCHEMBL1509010

CCC(CC)(c1ccc(Cl)c(F)c1)P(=O)(O)O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.36
PTPN5 P54829 7/20 0.36
PGK1 P00558 1/20 0.35
PGK2 P07205 1/20 0.35
PTPN1 P18031 3/20 0.33
GGPS1 O95749 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
PDE2A O00408 1/20 0.33
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 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
SCHEMBL2030289 0.78 CYP3A4 (0.38) FDPSPGK1PGK2GGPS1
SCHEMBL7870277 0.77 PGK1 (0.44) FDPSPTPN5PGK1PGK2PTPN1
SCHEMBL17923941 0.76 PGK1 (0.42) FDPSPTPN5PGK1PGK2PTPN1
SCHEMBL11762641 0.76 PTPN1 (0.52) PGK1PGK2PTPN1
SCHEMBL1354398 0.76 MEN1 (0.42) PTPN5PGK1PGK2GGPS1
SCHEMBL17187126 0.75 PDE2A (0.37) PDE2AAKR1C3AKR1C2
SCHEMBL3390400 0.74 PGK1 (0.52) PTPN5PGK1PGK2PTPN1
SCHEMBL1338013 0.74 PGK1 (0.44) PTPN5PGK1PGK2GGPS1
SCHEMBL2028840 0.74 LMNA (0.46) PGK1
SCHEMBL23908217 0.73 PGK1 (0.43) FDPSPTPN5PGK1PGK2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2298778-A1 IMIDAZOTHIAZOLE DERIVATIVE HAVING 4,7-DIAZASPIROÝ2.5¨OCTANE RING STRUCTURE Daiichi Sankyo Company, Limited (JP) 2011-03-23 EP disclosed