SCHEMBL8997810

SCHEMBL8997810

C[C@H](N)C(=O)Nc1cccnc1Oc1cccc2c1C[C@](NC(=O)OC(C)(C)C)(OC(=O)OCc1ccccc1)CC2

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 18/20 0.39
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 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
SCHEMBL8997631 0.92 SYK (0.35)
SCHEMBL8997804 0.91 P2RY1 (0.37) P2RY1KDM4EMAPK1FNTAFNTB
SCHEMBL8997628 0.88 CA1 (0.34) P2RY1KDM4E
SCHEMBL8997695 0.85 P2RY1 (0.37) P2RY1KDM4EMAPK1FNTAFNTB
SCHEMBL8997778 0.84 MEN1 (0.40) P2RY1KDM4E
SCHEMBL8997594 0.83 SYK (0.40)
SCHEMBL8997648 0.82 SYK (0.38)
SCHEMBL8567143 0.78 CA1 (0.39) MAPK1
SCHEMBL8575729 0.78 CA1 (0.39) MAPK1
SCHEMBL8997716 0.78 GHSR (0.33) KDM4E

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