SCHEMBL7379740

SCHEMBL7379740

CC(C)C(c1ccc(N)nc1)C(CS)C(=O)O.CCOC(=O)C(CSC(C)=O)C(c1ccc(NC(=O)OC(C)(C)C)nc1)C(C)C

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK2 P49137 4/20 0.32
▸ CPB2 Q96IY4 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31

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
SCHEMBL6058748 0.89 MAPT (0.34) MAPKAPK2HDAC1
SCHEMBL7384137 0.85 GRIN2B (0.34) CPB2HDAC1
SCHEMBL6059200 0.80 MAPT (0.35) MAPKAPK2HDAC1
SCHEMBL6058746 0.78 CYP17A1 (0.36) MAPKAPK2HDAC1
SCHEMBL6058794 0.77 GRIN2B (0.37) HDAC1
SCHEMBL7382852 0.77 — —
SCHEMBL6059026 0.76 GRIN2B (0.37) HDAC1
SCHEMBL6059388 0.75 GRIN2B (0.39) HDAC1
SCHEMBL6058911 0.75 CYP17A1 (0.38) HDAC1
SCHEMBL4007432 0.73 CPB2 (0.52) CPB2

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
EP-1180098-A1 NEW COMPOUNDS AstraZeneca AB (SE) 2002-02-20 — — EP disclosed
WO-2000066557-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2000-11-09 — — WO disclosed
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