SCHEMBL22798279

SCHEMBL22798279

CC(C)C(NC(=O)O)C(=O)N1CCCCC1C(=O)NC(CCCNC(=N)N)C(=O)CF

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 7/20 0.50
▸ EPHA2 P29317 2/20 0.41
▸ ELANE P08246 5/20 0.40
▸ CMA1 P23946 3/20 0.38
▸ XIAP P98170 1/20 0.37
▸ 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
SCHEMBL22798276 1.00 MALT1 (0.50) MALT1EPHA2ELANECMA1XIAP
SCHEMBL20484548 1.00 MALT1 (0.50) MALT1EPHA2ELANECMA1XIAP
SCHEMBL20484552 0.97 MALT1 (0.52) MALT1EPHA2ELANECMA1XIAP
SCHEMBL22798205 0.97 MALT1 (0.52) MALT1EPHA2ELANECMA1XIAP
SCHEMBL20484549 0.97 MALT1 (0.52) MALT1EPHA2ELANECMA1XIAP
SCHEMBL20484554 0.97 MALT1 (0.52) MALT1EPHA2ELANECMA1XIAP
Trifluoroacetic Acid SCHEMBL20484535 0.93 MALT1 (0.49) MALT1EPHA2ELANECMA1CTSG
Trifluoroacetic Acid SCHEMBL20484536 0.93 MALT1 (0.49) MALT1EPHA2ELANECMA1CTSG
Trifluoroacetic Acid SCHEMBL20484532 0.93 MALT1 (0.49) MALT1EPHA2ELANECMA1CTSG
SCHEMBL22798227 0.90 MALT1 (0.51) MALT1EPHA2ELANEXIAPCTSG

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
Send feedback