SCHEMBL8920639

SCHEMBL8920639

CCCCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1C(=O)N[C@H](C(=O)O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 2/20 0.48
▸ ELANE P08246 12/20 0.42
▸ TP53 P04637 1/20 0.40
▸ MLX Q9UH92 1/20 0.40
▸ APLNR P35414 1/20 0.40
▸ CMA1 P23946 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ CTSG P08311 1/20 0.37

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
SCHEMBL8615903 1.00 XIAP (0.48) XIAPELANETP53MLXAPLNR
SCHEMBL10728408 0.91 FAAH (0.46) XIAPELANETP53APLNR
SCHEMBL10728411 0.91 FAAH (0.46) XIAPELANETP53APLNR
SCHEMBL25638189 0.87 ELANE (0.45) XIAPELANEMLXCMA1
SCHEMBL30134415 0.87 ELANE (0.45) XIAPELANEMLXCMA1
SCHEMBL8611208 0.84 PREP (0.49) XIAPELANEMLXCMA1CTSG
SCHEMBL8961236 0.84 PREP (0.49) XIAPELANEMLXCMA1CTSG
SCHEMBL8922480 0.84 PREP (0.49) XIAPELANEMLXCMA1CTSG
SCHEMBL30582861 0.83 XIAP (0.55) XIAPELANEMLXCMA1CTSG
SCHEMBL15231267 0.83 APLNR (0.50) APLNR

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-5616573-A Glucocorticoids SCHERING AKTIENGESELLSCHAFT (DE) 1997-04-01 — — US disclosed
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