SCHEMBL4127080

SCHEMBL4127080

CCc1c(O)cccc1OCCCCNC(=O)CCc1ccc(N2CC(=O)NS2(=O)=O)c(O)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.49
CNR2 P34972 7/20 0.49
PTPN1 P18031 3/20 0.43
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.34
DRD2 P14416 1/20 0.34
DRD3 P35462 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL2933664 0.91 CNR1 (0.46) CNR1CNR2PTPN1MAPTDRD2
SCHEMBL3216067 0.91 CNR1 (0.42) CNR1CNR2PTPN1DRD2DRD3
SCHEMBL3201537 0.90 CNR1 (0.43) CNR1CNR2PTPN1MAPT
SCHEMBL2929598 0.90 PTPN1 (0.44) CNR1CNR2PTPN1MAPTDRD2
SCHEMBL3220485 0.89 PTPN1 (0.43) CNR1CNR2PTPN1
SCHEMBL3217932 0.89 CNR1 (0.41) CNR1CNR2PTPN1
SCHEMBL3217863 0.89 PTPN1 (0.46) CNR1CNR2PTPN1MAPTDRD2
SCHEMBL2930659 0.89 CNR1 (0.42) CNR1CNR2PTPN1MAPTDRD2
SCHEMBL2930641 0.88 PTPN1 (0.44) CNR1CNR2PTPN1MAPTDRD2
SCHEMBL3929110 0.88 CNR1 (0.41) CNR1CNR2PTPN1MAPTDRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2038267-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE Novartis AG (CH) 2009-03-25 EP claimed
WO-2007115058-A2 THIADIAZOLIDINONE INHIBITORS OF PTPASE NOVARTIS AG (CH) 2007-10-11 WO claimed