SCHEMBL7900607

SCHEMBL7900607

CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCCC(c2cc3cccc(F)c3n2C[C@@H](O)CO)C1)Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.32
KLK5 Q9Y337 1/20 0.32
ACE P12821 1/20 0.32
TRPV3 Q8NET8 1/20 0.32
REN P00797 4/20 0.31
CYP3A4 P08684 2/20 0.31
USP30 Q70CQ3 1/20 0.31
PPARA Q07869 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
SCN9A Q15858 1/20 0.31
PABPC1 P11940 1/20 0.30
ROCK1 Q13464 1/20 0.30
BCL9 O00512 1/20 0.30
CTNNB1 P35222 1/20 0.30
ITGB3 P05106 2/20 0.30
ITGA2B P08514 2/20 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
SCHEMBL7889785 1.00 L3MBTL1 (0.32) L3MBTL1KLK5ACETRPV3REN
SCHEMBL2791941 0.91 ROCK1 (0.32) PPARAROCK1ITGB3ITGA2B
SCHEMBL2790553 0.91 ROCK1 (0.32) PPARAROCK1ITGB3ITGA2B
SCHEMBL7902090 0.89 USP30 (0.32) KLK5ACERENCYP3A4USP30
SCHEMBL7898296 0.81 CNR2 (0.33) KLK5ACERENCYP3A4USP30
SCHEMBL7902463 0.81 USP30 (0.33) KLK5USP30AAK1SCN9AITGB3
SCHEMBL7897738 0.80 PADI4 (0.37) KLK5ACEUSP30AAK1SCN9A
SCHEMBL7902535 0.79 USP30 (0.32) KLK5RENCYP3A4USP30AAK1
SCHEMBL7898919 0.76 USP30 (0.32) KLK5USP30AAK1SCN9A
SCHEMBL762754 0.73 HRH1 (0.38) KLK5CYP3A4USP30

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-2010111634-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-30 WO disclosed