SCHEMBL4784078

SCHEMBL4784078

CC(O)CCCc1ccc2cc(O)c(N3CCNS3(=O)=O)cc2c1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.39
GRIN2D O15399 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.31

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
SCHEMBL4557317 0.86 PTPN1 (0.39) PTPN1GRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL629672 0.83 PTPN1 (0.60) PTPN1GRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL629290 0.83 PTPN1 (0.60) PTPN1GRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL629291 0.83 PTPN1 (0.60) PTPN1GRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL4648799 0.81 PTPN1 (0.38) PTPN1
SCHEMBL629895 0.76 PTPN1 (0.61) PTPN1GRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL629924 0.75 PTPN1 (0.57) PTPN1GRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL27725115 0.73 GRIN2D (0.42) PTPN1GRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL629388 0.73 PTPN1 (0.57) PTPN1GRIN2DGRIN2AGRIN2BGRIN2C
SCHEMBL27745953 0.71 GRIN2D (0.39) PTPN1GRIN2DGRIN2AGRIN2BGRIN2C

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