SCHEMBL8997611

SCHEMBL8997611

C[C@H](N)C(=O)N[C@@H](C)C(=O)NCc1ccccc1Oc1cccc2c1C[C@](NC(=O)OC(C)(C)C)(OC(=O)O)CC2

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RPS6KA1 Q15418 1/20 0.34
BACE1 P56817 7/20 0.34
GAA P10253 2/20 0.33
KCNA5 P22460 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP3A4 P08684 2/20 0.32
SCN9A Q15858 2/20 0.32
SCN10A Q9Y5Y9 1/20 0.32
PSMB8 P28062 1/20 0.32
PSMB5 P28074 1/20 0.32
GHSR Q92847 1/20 0.32

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
SCHEMBL8997716 0.87 GHSR (0.33) GHSR
SCHEMBL8997715 0.85 CPB2 (0.31) GHSR
SCHEMBL8997695 0.81 P2RY1 (0.37)
SCHEMBL8997593 0.81 ALDH1A1 (0.35) KCNA5ALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL8997600 0.79 SYK (0.40) RPS6KA1KCNA5ALDH1A1HPGDHSD17B10
SCHEMBL8997761 0.79 GHSR (0.33) GHSR
SCHEMBL8997625 0.79 GHSR (0.37) RPS6KA1GHSR
SCHEMBL8997604 0.77 GHSR (0.34) GHSR
SCHEMBL8580708 0.76 GHSR (0.43) BACE1GAAKCNA5ALDH1A1HPGD
SCHEMBL8997631 0.76 SYK (0.35) PSMB5GHSR

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
EP-0729972-A1 Peptide derivatives of tetrahydronaphthalene F. HOFFMANN-LA ROCHE AG (CH) 1996-09-04 EP disclosed