SCHEMBL20329050

SCHEMBL20329050

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SIRT5 Q9NXA8 1/20 0.42
BACE1 P56817 4/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
FURIN P09958 2/20 0.40
PTPRB P23467 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
CA1 P00915 1/20 0.39
BACE2 Q9Y5Z0 1/20 0.39

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
SCHEMBL13436625 0.87 CA2 (0.46) CA2MEN1KMT2ASIRT5BACE1
SCHEMBL17902993 0.87 CA2 (0.46) CA2MEN1KMT2ASIRT5BACE1
SCHEMBL20158426 0.87 CA2 (0.46) CA2MEN1KMT2ASIRT5BACE1
SCHEMBL14012279 0.87 CA2 (0.46) CA2MEN1KMT2ASIRT5BACE1
SCHEMBL12283259 0.87 CA2 (0.46) CA2MEN1KMT2ASIRT5BACE1
SCHEMBL20332469 0.87 CA2 (0.45) CA2MEN1KMT2ASIRT5BACE1
SCHEMBL20328120 0.86 CA2 (0.44) CA2MEN1KMT2ASIRT5BACE1
SCHEMBL17595995 0.84 MEN1 (0.45) CA2MEN1KMT2ABACE1HDAC4
SCHEMBL17595996 0.84 MEN1 (0.45) CA2MEN1KMT2ABACE1HDAC4
SCHEMBL17595993 0.84 MEN1 (0.45) CA2MEN1KMT2ABACE1HDAC4

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
WO-2018115204-A1 PEPTIDE LIGANDS FOR BINDING TO MT1-MMP BICYCLETX LIMITED (GB) 2018-06-28 WO disclosed