SCHEMBL3881963

SCHEMBL3881963

Cc1ccccc1Oc1cccc(C(=O)C2CCCN(C(=O)OC(C)(C)C)C2)c1F

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
RAB9A P51151 1/20 0.46
POLB P06746 2/20 0.46
KAT7 O95251 1/20 0.43
KAT8 Q9H7Z6 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 6/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPK1 P28482 1/20 0.42
USP30 Q70CQ3 1/20 0.42
TSHR P16473 1/20 0.41
HSD11B1 P28845 1/20 0.41

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
SCHEMBL1859029 1.00 GAA (0.46) GAARAB9APOLBKAT7KAT8
SCHEMBL1860261 0.91 POLB (0.52) GAARAB9APOLBL3MBTL1ALDH1A1
SCHEMBL1860263 0.91 POLB (0.52) GAARAB9APOLBL3MBTL1ALDH1A1
SCHEMBL12991579 0.85 ALDH1A1 (0.51) GAARAB9APOLBL3MBTL1ALDH1A1
SCHEMBL3617205 0.84 GAA (0.49) GAARAB9APOLBALDH1A1MAPT
SCHEMBL1867619 0.84 GAA (0.49) GAARAB9APOLBALDH1A1MAPT
SCHEMBL970360 0.83 POLB (0.51) GAARAB9APOLBALDH1A1MAPT
SCHEMBL970359 0.83 POLB (0.51) GAARAB9APOLBALDH1A1MAPT
SCHEMBL5593571 0.82 RAB9A (0.53) GAARAB9APOLBKAT7KAT8
SCHEMBL1861675 0.82 RAB9A (0.53) GAARAB9APOLBKAT7KAT8

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-2010488-A2 RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2009-01-07 EP disclosed
WO-2007117559-A2 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO disclosed