SCHEMBL8997716

SCHEMBL8997716

C[C@H](N)C(=O)N[C@@H](C)C(=O)Nc1ccccc1Oc1cccc2c1C[C@](NC(=O)OC(C)(C)C)(OC(=O)O)CC2

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
IDO1 P14902 6/20 0.32
CASP3 P42574 1/20 0.31
CASP6 P55212 1/20 0.31
CASP8 Q14790 1/20 0.31
KDM4E B2RXH2 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL8997695 0.91 P2RY1 (0.37) KDM4E
SCHEMBL8997611 0.87 RPS6KA1 (0.34) GHSR
SCHEMBL8997631 0.85 SYK (0.35) GHSRPRMT5WDR77IDO1CASP3
SCHEMBL8997594 0.84 SYK (0.40) LMNA
SCHEMBL8997715 0.82 CPB2 (0.31) GHSR
SCHEMBL8997810 0.78 P2RY1 (0.39) KDM4E
SCHEMBL8997761 0.78 GHSR (0.33) GHSR
SCHEMBL8997804 0.78 P2RY1 (0.37) KDM4E
SCHEMBL8584095 0.74 KMT2A (0.33) GHSRPRMT5WDR77LMNAL3MBTL1
SCHEMBL8997625 0.74 GHSR (0.37) GHSRPRMT5WDR77LMNA

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