SCHEMBL22811450

SCHEMBL22811450

CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)N)C(=O)CF)C(C)C

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 4/20 0.67
▸ CMA1 P23946 4/20 0.47
▸ REN P00797 3/20 0.47
▸ CTSD P07339 2/20 0.45
▸ CTSE P14091 2/20 0.45
▸ BACE1 P56817 2/20 0.45
▸ CTSK P43235 7/20 0.45
▸ CTSL P07711 4/20 0.45
▸ CTSS P25774 3/20 0.45
▸ CTSB P07858 1/20 0.44

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
SCHEMBL18619694 0.91 MALT1 (0.65) MALT1CMA1RENCTSDCTSE
SCHEMBL18620806 0.91 MALT1 (0.65) MALT1CMA1RENCTSDCTSE
SCHEMBL22209500 0.86 MALT1 (0.69) MALT1CMA1REN
SCHEMBL22209365 0.84 MALT1 (0.64) MALT1CMA1
SCHEMBL18619572 0.84 MALT1 (0.64) MALT1CMA1
SCHEMBL22811073 0.84 MALT1 (0.64) MALT1CMA1
SCHEMBL18621052 0.84 MALT1 (0.64) MALT1CMA1
SCHEMBL18619638 0.83 MALT1 (0.57) MALT1RENCTSKCTSLCTSS
SCHEMBL22209378 0.82 MALT1 (0.61) MALT1CMA1
SCHEMBL18619579 0.82 MALT1 (0.61) MALT1CMA1CTSKCTSLCTSB

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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