SCHEMBL4756814

SCHEMBL4756814

COCCCc1n[nH]c2ccc(C(C)[C@@H](C[C@H](NC(=O)[C@@H](NC(=O)CN)C(C)C)[C@@H](O)C[C@H](C(=O)NCC3CC3)C(C)C)C(C)C)cc12

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 11/20 0.33
CTSD P07339 2/20 0.33
REN P00797 3/20 0.32
F10 P00742 2/20 0.31
PRSS1 P07477 2/20 0.31
CTSE P14091 1/20 0.31
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL4756494 0.91 REN (0.34) GSK3BREN
SCHEMBL4754633 0.88 CTSD (0.33) CTSDRENF10PRSS1ALDH1A1
SCHEMBL4757263 0.79 REN (0.33) CTSDRENF10PRSS1ALDH1A1
SCHEMBL4755820 0.78 REN (0.35) RENALDH1A1
SCHEMBL4756821 0.75 REN (0.40) REN
SCHEMBL8471863 0.75 REN (0.40) REN
SCHEMBL4525603 0.73 REN (0.36) REN
SCHEMBL4754635 0.73
SCHEMBL8469012 0.72 REN (0.42) REN
SCHEMBL4754622 0.72 REN (0.42) REN

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-2008154905-A2 MODIFICATIONS OF THE HISTONE DEACETYLASE INHIBITOR SUBEROYLANILIDE HYDROXAMIC ACID SCHEBO BIOTECH AG (DE) 2008-12-24 WO disclosed