SCHEMBL22798227

SCHEMBL22798227

CC(C)C(NC(=O)C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NC(CCCNC(=N)N)C(=O)CF

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 7/20 0.51
▸ ELANE P08246 7/20 0.40
▸ EPHA2 P29317 2/20 0.40
▸ XIAP P98170 1/20 0.38
▸ CTSG P08311 1/20 0.38
▸ ACE P12821 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
SCHEMBL18621078 1.00 MALT1 (0.51) MALT1ELANEEPHA2XIAPCTSG
SCHEMBL22209373 1.00 MALT1 (0.51) MALT1ELANEEPHA2XIAPCTSG
SCHEMBL20484552 0.91 MALT1 (0.52) MALT1ELANEEPHA2XIAPCTSG
SCHEMBL22798205 0.91 MALT1 (0.52) MALT1ELANEEPHA2XIAPCTSG
SCHEMBL20484549 0.91 MALT1 (0.52) MALT1ELANEEPHA2XIAPCTSG
SCHEMBL20484554 0.91 MALT1 (0.52) MALT1ELANEEPHA2XIAPCTSG
SCHEMBL22798279 0.90 MALT1 (0.50) MALT1ELANEEPHA2XIAPCTSG
SCHEMBL22798276 0.90 MALT1 (0.50) MALT1ELANEEPHA2XIAPCTSG
SCHEMBL20484548 0.90 MALT1 (0.50) MALT1ELANEEPHA2XIAPCTSG
SCHEMBL18619545 0.90 MALT1 (0.51) MALT1ELANEEPHA2XIAP

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-3341007-B1 MALT1 INHIBITORS AND USES THEREOF UNIV CORNELL (US) 2020-12-23 — — EP disclosed
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