SCHEMBL9687293

SCHEMBL9687293

O=C(N[C@H](CC(=O)c1nc2cc(Cl)c(Cl)cc2[nH]1)C(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.43
AAK1 Q2M2I8 4/20 0.43
PRCP P42785 3/20 0.43
RHEB Q15382 1/20 0.43
CASP1 P29466 4/20 0.42
TYR P14679 1/20 0.42
NOS1 P29475 1/20 0.41
IDO1 P14902 1/20 0.41
OPRK1 P41145 1/20 0.39

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
SCHEMBL8779934 0.88 AAK1 (0.45) AAK1CASP1TYRNOS1IDO1
SCHEMBL8779925 0.87 HDAC3 (0.48) AAK1CASP1NOS1IDO1
SCHEMBL8779881 0.87 HDAC3 (0.48) AAK1CASP1NOS1IDO1
SCHEMBL9687291 0.76 RHEB (0.41) EGLN1PRCPRHEB
SCHEMBL7419324 0.74 CASP1 (0.54) CASP1IDO1
SCHEMBL7419321 0.74 CASP1 (0.54) CASP1IDO1
SCHEMBL4932981 0.74 PTPN1 (0.48) PRCP
SCHEMBL4932996 0.74 PTPN1 (0.48) PRCP
SCHEMBL4280674 0.72 CASP1 (0.67) CASP1
SCHEMBL4280669 0.72 CASP1 (0.67) CASP1

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
US-5124319-A Administering for treatment of neuropathological disorders induced by overstimulation of excitatory amino acid receptors AMERICAN HOME PRODUCTS CORPORATION (US) 1992-06-23 US disclosed