SCHEMBL7285431

SCHEMBL7285431

CCC(C)[C@H](NC(=O)C1CCC(=O)C1)C(=O)N1CCC[C@H]1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ XIAP P98170 1/20 0.46
▸ POLB P06746 1/20 0.44
▸ KMT2A Q03164 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TRHR P34981 4/20 0.41

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
SCHEMBL7285438 1.00 XIAP (0.46) XIAPPOLBKMT2AL3MBTL1TRHR
SCHEMBL7273990 0.89 ELANE (0.43) XIAPKMT2ATRHR
SCHEMBL7282397 0.89 CAPN1 (0.41) TRHR
SCHEMBL7282406 0.89 CAPN1 (0.41) TRHR
SCHEMBL7276794 0.83 XIAP (0.46) XIAPPOLBKMT2AL3MBTL1TRHR
SCHEMBL7276782 0.83 XIAP (0.46) XIAPPOLBKMT2AL3MBTL1TRHR
SCHEMBL7273766 0.82 TRHR (0.47) TRHR
SCHEMBL7271564 0.82 TRHR (0.47) KMT2ATRHR
SCHEMBL7280675 0.81 KMT2A (0.45) XIAPPOLBKMT2AL3MBTL1TRHR
SCHEMBL7280679 0.81 KMT2A (0.45) XIAPPOLBKMT2AL3MBTL1TRHR

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
Send feedback