SCHEMBL7276782

SCHEMBL7276782

CCC(C)[C@H](NC(=O)[C@H]1CC(=O)C[C@H]1C)C(=O)N1CCC[C@H]1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 1/20 0.46
▸ KMT2A Q03164 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ ELANE P08246 2/20 0.38
▸ TRHR P34981 3/20 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
SCHEMBL7276794 1.00 XIAP (0.46) XIAPKMT2AL3MBTL1POLBELANE
SCHEMBL7274032 0.90 ELANE (0.44) XIAPKMT2AELANE
SCHEMBL7274041 0.90 ELANE (0.44) XIAPKMT2AELANE
SCHEMBL7281202 0.89 CAPN1 (0.41) XIAPELANETRHR
SCHEMBL7281210 0.89 CAPN1 (0.41) XIAPELANETRHR
SCHEMBL7273522 0.83 CAPN1 (0.44) KMT2ATRHR
SCHEMBL7285431 0.83 XIAP (0.46) XIAPKMT2AL3MBTL1POLBTRHR
SCHEMBL7273124 0.83 TRHR (0.44) TRHR
SCHEMBL7285438 0.83 XIAP (0.46) XIAPKMT2AL3MBTL1POLBTRHR
SCHEMBL7282352 0.82 TRHR (0.43) TRHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0473993-B1 Novel peptide derivatives and their pharmaceutical use JAPAN TOBACCO INC (JP) 1996-04-17 — — EP disclosed
EP-0473993-A2 Novel peptide derivatives and their pharmaceutical use Japan Tobacco Inc. (JP) 1992-03-11 — — EP disclosed
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