SCHEMBL21153770

SCHEMBL21153770

CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)Nc1ccc(CO)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.52
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ATM Q13315 1/20 0.44
GLS O94925 1/20 0.42
PTPRB P23467 1/20 0.41
KLK5 Q9Y337 1/20 0.41
PABPC1 P11940 1/20 0.41
BACE1 P56817 2/20 0.40

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
SCHEMBL24476307 0.90 CA2 (0.51) CA2CTSSCTSKMEN1KMT2A
SCHEMBL22300573 0.90 CA2 (0.51) CA2CTSSCTSKMEN1KMT2A
SCHEMBL25689756 0.86 CA2 (0.48) CA2CTSSCTSKMEN1KMT2A
SCHEMBL23543192 0.85 CA2 (0.38) CA2CTSSCTSKMEN1KMT2A
SCHEMBL19277932 0.84 MEN1 (0.56) CA2CTSSCTSKMEN1KMT2A
SCHEMBL25993767 0.84 MEN1 (0.56) CA2CTSSCTSKMEN1KMT2A
SCHEMBL22815478 0.84 MEN1 (0.56) CA2CTSSCTSKMEN1KMT2A
SCHEMBL19391315 0.84 MEN1 (0.56) CA2CTSSCTSKMEN1KMT2A
SCHEMBL19391314 0.84 MEN1 (0.56) CA2CTSSCTSKMEN1KMT2A
SCHEMBL3218237 0.83 CA1 (0.48) CA2MEN1KMT2A

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
WO-2019217591-A1 ANTI-MSR1 ANTIBODIES AND METHODS OF USE THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2019-11-14 WO disclosed
WO-2019136487-A2 STEROIDS AND ANTIBODY-CONJUGATES THEREOF REGENERON PHARMACEUTICALS, INC. (US) 2019-07-11 WO disclosed