SCHEMBL1725619

SCHEMBL1725619

CC(C)(C)OC(=O)N1CC(NC(=O)OCC2c3ccccc3-c3ccccc32)[C@@H](c2ccccc2F)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.42
USP30 Q70CQ3 2/20 0.41
PDE4B Q07343 2/20 0.40
TLR2 O60603 2/20 0.40
TLR1 Q15399 2/20 0.40
RORC P51449 1/20 0.39
KMT2A Q03164 1/20 0.39
F10 P00742 1/20 0.38
NAMPT P43490 1/20 0.38
KCNH2 Q12809 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
EPHX2 P34913 1/20 0.37
TACR1 P25103 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
SCHEMBL3805891 1.00 BACE1 (0.42) BACE1USP30PDE4BTLR2TLR1
SCHEMBL148386 1.00 BACE1 (0.42) BACE1USP30PDE4BTLR2TLR1
SCHEMBL148387 1.00 BACE1 (0.42) BACE1USP30PDE4BTLR2TLR1
SCHEMBL148055 1.00 BACE1 (0.42) BACE1USP30PDE4BTLR2TLR1
SCHEMBL13186500 0.88 PDE4B (0.37) BACE1USP30PDE4BTLR2TLR1
SCHEMBL1721964 0.86 KMT2A (0.43) TLR2TLR1KMT2AF10EPHX2
SCHEMBL21319696 0.86 BACE1 (0.46) BACE1USP30TLR2TLR1KMT2A
SCHEMBL12164667 0.85 BACE1 (0.44) BACE1USP30TLR2TLR1KMT2A
SCHEMBL742949 0.84 BACE1 (0.46) BACE1USP30TLR2TLR1KMT2A
SCHEMBL6344562 0.84 BACE1 (0.46) BACE1USP30TLR2TLR1KMT2A

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-2406256-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS Prosidion Limited (GB) 2012-01-18 EP disclosed