SCHEMBL3884437

SCHEMBL3884437

CC(C)(C)OC(=O)N1CCCC(C(=O)c2ccccc2-c2ccccc2Cl)C1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.53
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
STS P08842 1/20 0.46
KDM2B Q8NHM5 2/20 0.45
USP30 Q70CQ3 1/20 0.44
HPGD P15428 1/20 0.43
HSD11B1 P28845 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 2/20 0.42
GAA P10253 1/20 0.42

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
SCHEMBL1865498 1.00 POLB (0.53) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL970360 0.85 POLB (0.51) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL970359 0.85 POLB (0.51) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL1865320 0.84 HSD11B1 (0.52) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL12991579 0.84 ALDH1A1 (0.51) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL5593571 0.83 RAB9A (0.53) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL1861675 0.83 RAB9A (0.53) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL31358021 0.83 ALDH1A1 (0.53) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL1870934 0.82 GAA (0.48) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL2328635 0.80 ALDH1A1 (0.51) MEN1KMT2AALDH1A1MAPTGAA

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