SCHEMBL4781876

SCHEMBL4781876

COc1cccc(OCCCCNC(=O)CCc2ccc(N3CC(=O)NS3(=O)=O)c(O)c2)c1.COc1cccc(OCCCCNC(=O)CCc2ccc(N3CC(=O)NS3(=O)=O)c(O)c2)c1OC.CS(=O)(=O)c1ccccc1OCCCCNC(=O)CCc1ccc(N2CC(=O)NS2(=O)=O)c(O)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.41
CNR1 P21554 2/20 0.35
CNR2 P34972 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
LIPG Q9Y5X9 1/20 0.32
GAA P10253 1/20 0.32
GFER P55789 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
SCHEMBL3217909 0.90 PTPN1 (0.45) PTPN1CNR1CNR2POLBHTT
SCHEMBL2930641 0.89 PTPN1 (0.44) PTPN1CNR1CNR2MEN1KMT2A
SCHEMBL3214738 0.88 PTPN1 (0.47) PTPN1KMT2AMAPTPOLBALDH1A1
SCHEMBL2929598 0.85 PTPN1 (0.44) PTPN1CNR1CNR2MEN1KMT2A
SCHEMBL3217863 0.82 PTPN1 (0.46) PTPN1CNR1CNR2MAPTPOLB
SCHEMBL3226821 0.82 PTPN1 (0.43) PTPN1CNR1CNR2LIPG
SCHEMBL3216194 0.81 PTPN1 (0.42) PTPN1MEN1KMT2ASMN1; SMN2LIPG
SCHEMBL3220375 0.81 PTPN1 (0.41) PTPN1CNR1CNR2MEN1KMT2A
SCHEMBL3216067 0.81 CNR1 (0.42) PTPN1CNR1CNR2POLBHTT
SCHEMBL3222948 0.79 PTPN1 (0.41) PTPN1CNR1CNR2MEN1KMT2A

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