SCHEMBL4557134

SCHEMBL4557134

CC(C)(C)OC(=O)NCCCc1ccc(N2CC(=O)NS2(=O)=O)c(O)c1.NCCCc1ccc(N2CC(=O)NS2(=O)=O)c(O)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.42
CA1 P00915 6/20 0.38
CA2 P00918 6/20 0.38
SIGMAR1 Q99720 2/20 0.38
NAMPT P43490 1/20 0.37
CA12 O43570 4/20 0.35
CA9 Q16790 4/20 0.35
DDB1 Q16531 2/20 0.34
CRBN Q96SW2 2/20 0.34
DRD2 P14416 1/20 0.34
LIPG Q9Y5X9 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34

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
SCHEMBL2930353 0.96 PTPN1 (0.45) PTPN1CA1CA2SIGMAR1NAMPT
SCHEMBL4312575 0.95 PTPN1 (0.45) PTPN1CA1CA2SIGMAR1NAMPT
Potassium SCHEMBL4131736 0.95 PTPN1 (0.45) PTPN1CA1CA2SIGMAR1NAMPT
SCHEMBL2931809 0.90 PTPN1 (0.47) PTPN1CA1CA2NAMPTDDB1
SCHEMBL2928485 0.84 PTPN1 (0.52) PTPN1DRD2
SCHEMBL3224621 0.82 PTPN1 (0.47) PTPN1LIPG
SCHEMBL3221602 0.81 PTPN1 (0.45) PTPN1SIGMAR1
SCHEMBL3920782 0.81 MTNR1A (0.45) PTPN1SIGMAR1NAMPTDDB1CRBN
SCHEMBL3214468 0.80 PTPN1 (0.45) PTPN1HDAC2HDAC8HDAC6
SCHEMBL12056194 0.80 PTPN1 (0.47) PTPN1CA1CA2NAMPTCA12

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-2089026-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE PROMOTION OF PHYSIOLOGICAL CARDIAC HYPERTROPHY Novartis AG (CH) 2009-08-19 EP disclosed
WO-2008070552-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE FOR THE PROMOTION OF PHYSIOLOGICAL CARDIAC HYPERTROPHY NOVARTIS AG (CH) 2008-06-12 WO disclosed