SCHEMBL18913343

SCHEMBL18913343

CC(=O)O[C@@H](C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C(CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 1/20 0.41
▸ PTPN1 P18031 4/20 0.37
▸ CMA1 P23946 1/20 0.36
▸ OPRM1 P35372 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ FDFT1 P37268 2/20 0.35
▸ MALT1 Q9UDY8 1/20 0.35
▸ CASP1 P29466 1/20 0.34
▸ CASP3 P42574 1/20 0.34
▸ CASP2 P42575 1/20 0.34
▸ CASP4 P49662 1/20 0.34
▸ CASP5 P51878 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ CASP9 P55211 1/20 0.34
▸ CASP8 Q14790 1/20 0.34
▸ CASP10 Q92851 1/20 0.34
▸ PRCP P42785 1/20 0.34
▸ SLC6A2 P23975 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
SCHEMBL30455214 0.83 FDFT1 (0.42) RENFDFT1PRCP
SCHEMBL22266601 0.81 PTPN1 (0.35) RENPTPN1FDFT1
SCHEMBL17450537 0.79 PRCP (0.43) FDFT1PRCP
SCHEMBL30272508 0.78 REN (0.43) RENPTPN1CMA1FDFT1PRCP
SCHEMBL30455194 0.77 FDFT1 (0.45) RENFDFT1PRCP
SCHEMBL30272489 0.76 PRCP (0.46) CASP3PRCP
SCHEMBL22266614 0.76 MDM4 (0.46) CASP3
SCHEMBL30538838 0.76 MDM4 (0.46) CASP3
SCHEMBL22266611 0.76 MDM4 (0.46) CASP3
SCHEMBL30962356 0.75 PRCP (0.46) FDFT1PRCP

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
WO-2017089607-A1 DERIVATIVES OF GAMMA-AMANITIN HEIDELBERG PHARMA GMBH (DE) 2017-06-01 — — WO disclosed
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