SCHEMBL8417249

SCHEMBL8417249

NC(=O)c1cc(CNC(=O)c2ccc(C(F)(F)P(=O)(O)O)cc2)ccc1OCC1CCCCC1

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SRC P12931 11/20 0.75
PDE4A P27815 3/20 0.46
PDE4B Q07343 3/20 0.46
PDE4C Q08493 3/20 0.46
PDE4D Q08499 3/20 0.46
YES1 P07947 2/20 0.45
SCN8A Q9UQD0 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.42
PTPN1 P18031 1/20 0.41

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
SCHEMBL8417324 0.85 SRC (1.00) SRCPDE4APDE4BPDE4CPDE4D
SCHEMBL8809924 0.85 SRC (0.62) SRCYES1
SCHEMBL8417252 0.85 SRC (0.73) SRCPDE4APDE4BPDE4CPDE4D
SCHEMBL8815972 0.81 SRC (0.79) SRCPDE4APDE4BPDE4CPDE4D
SCHEMBL8815818 0.80 SRC (0.76) SRCPDE4APDE4BPDE4CPDE4D
SCHEMBL8421232 0.76 SRC (1.00) SRCPDE4APDE4BPDE4CPDE4D
SCHEMBL8421353 0.76 SRC (0.61) SRCPDE4APDE4BPDE4CPDE4D
SCHEMBL8816150 0.74 SRC (0.79) SRCPDE4APDE4BPDE4CPDE4D
SCHEMBL8419343 0.73 SRC (0.59) SRCYES1
SCHEMBL7216556 0.72 SRC (0.58) SRCPDE4APDE4BPDE4CPDE4D

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997012903-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR INHIBITING THE BINDING OF PROTEINS CONTAINING AN SH2 DOMAIN TO COGNATE PHOSPHORYLATED PROTEINS WARNER-LAMBERT COMPANY (US) 1997-04-10 WO claimed
US-5922697-A Compounds, compositions and methods for inhibiting the binding of proteins containing an SH2 domain to cognate phosphorylated proteins WARNER-LAMBERT COMPANY (US) 1999-07-13 US disclosed
WO-1997012903-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR INHIBITING THE BINDING OF PROTEINS CONTAINING AN SH2 DOMAIN TO COGNATE PHOSPHORYLATED PROTEINS WARNER-LAMBERT COMPANY (US) 1997-04-10 WO disclosed