SCHEMBL2933763

SCHEMBL2933763

CC(C)(C)OC(=O)N1CCC(NC(=O)NCCc2ccc(N3CC(=O)NS3(=O)=O)c(O)c2)CC1.NCCc1ccc(N2CC(=O)NS2(=O)=O)c(O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
EPHX1 P07099 2/20 0.38
PTPN1 P18031 2/20 0.38
MAPK8 P45983 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
PARP1 P09874 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 2/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
TPSAB1 Q15661 1/20 0.35
TPSD1 Q9BZJ3 1/20 0.35
TPSG1 Q9NRR2 1/20 0.35
EPHX2 P34913 1/20 0.35
GPR119 Q8TDV5 1/20 0.35

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
SCHEMBL3209517 0.97 EPHX1 (0.41) CA12CA1CA2CA9EPHX1
SCHEMBL3762437 0.82 EPHX1 (0.49) EPHX1PTPN1MEN1KMT2ALMNA
SCHEMBL2936042 0.81 PTPN1 (0.42) EPHX1PTPN1MEN1KMT2ATP53
SCHEMBL2931809 0.80 PTPN1 (0.47) CA1CA2PTPN1LMNAMAPT
SCHEMBL4557134 0.78 PTPN1 (0.42) CA12CA1CA2CA9PTPN1
SCHEMBL3204480 0.77 EPHX1 (0.50) EPHX1PTPN1MEN1KMT2ATP53
SCHEMBL2933680 0.76 PTPN1 (0.54) PTPN1LMNATP53MAPT
SCHEMBL2936239 0.76 EPHX1 (0.48) CA12CA1CA2CA9EPHX1
SCHEMBL2933013 0.75 PTPN1 (0.47) PTPN1MEN1KMT2ALMNAMAPT
SCHEMBL3220339 0.75 PTPN1 (0.47) PTPN1LMNAPOLBMAPT

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-2227245-A2 COMBINATION OF PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND HUMAN GROWTH HORMONE FOR THE TREATMENT OF MUSCLE ATROPHY AND RELATED DISORDERS Novartis AG (CH) 2010-09-15 EP disclosed
WO-2009068689-A2 COMBINATION OF PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND HUMAN GROWTH HORMONE FOR THE TREATMENT OF MUSCLE ATROPHY AND RELATED DISORDERS NOVARTIS AG (CH) 2009-06-04 WO disclosed