SCHEMBL4784709

SCHEMBL4784709

COC(=O)c1c(O)cccc1OCCCCNC(=O)CCc1ccc(N2CC(=O)NS2(=O)=O)c(O)c1.COC(=O)c1ccccc1OCCCCNC(=O)CCc1ccc(N2CC(=O)NS2(=O)=O)c(O)c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 17/20 0.45
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
PTPN2 P17706 3/20 0.39
PTPRF P10586 1/20 0.39
PTPRA P18433 1/20 0.37
PTPN22 Q9Y2R2 1/20 0.36

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
SCHEMBL3220485 0.96 PTPN1 (0.43) PTPN1CNR1CNR2PTPN22
SCHEMBL3222948 0.95 PTPN1 (0.41) PTPN1CNR1CNR2
SCHEMBL2936381 0.92 PTPN1 (0.40) PTPN1CNR1CNR2PTPN2PTPRA
SCHEMBL2936384 0.92 PTPN1 (0.39) PTPN1CNR1CNR2
SCHEMBL3201537 0.89 CNR1 (0.43) PTPN1CNR1CNR2
SCHEMBL3217932 0.88 CNR1 (0.41) PTPN1CNR1CNR2PTPN2PTPRA
SCHEMBL3216170 0.88 PTPN1 (0.40) PTPN1CNR1CNR2
SCHEMBL3216067 0.88 CNR1 (0.42) PTPN1CNR1CNR2
SCHEMBL3929110 0.87 CNR1 (0.41) PTPN1CNR1CNR2
SCHEMBL2930479 0.86 CNR1 (0.41) PTPN1CNR1CNR2PTPN2PTPRA

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
WO-2008067527-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE TREATMENT OF MUSCLE ATROPHY AND RELATED DISORDERS NOVARTIS AG (CH) 2008-06-05 WO disclosed