SCHEMBL5510885

SCHEMBL5510885

CCOC(=O)COC(c1cccc(Cl)c1F)C1CCCN(C(=O)O)C1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.49
KMT2A Q03164 2/20 0.43
GAA P10253 1/20 0.43
ALDH1A1 P00352 4/20 0.42
TSHR P16473 4/20 0.42
KDM4E B2RXH2 3/20 0.42
TDP1 Q9NUW8 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.38
HPGD P15428 2/20 0.38
ALOX15 P16050 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL4974903 0.91 REN (0.46) RENKMT2AGAAALDH1A1TSHR
SCHEMBL1859604 0.89 REN (0.48) RENKMT2AGAAALDH1A1TSHR
SCHEMBL3606261 0.89 REN (0.48) RENKMT2AGAAALDH1A1TSHR
SCHEMBL1859608 0.89 REN (0.48) RENKMT2AGAAALDH1A1TSHR
SCHEMBL1859602 0.89 REN (0.48) RENKMT2AGAAALDH1A1TSHR
SCHEMBL4972473 0.86 REN (0.43) RENKMT2AGAAALDH1A1TSHR
SCHEMBL4969868 0.86 REN (0.43) RENKMT2AGAAALDH1A1TSHR
SCHEMBL5616713 0.85 KDM4E (0.44) RENKMT2AGAAALDH1A1TSHR
SCHEMBL8229765 0.85 REN (0.44) RENKMT2AGAAALDH1A1TSHR
SCHEMBL5515790 0.84 REN (0.54) RENKMT2AGAAKDM4ENPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007117560-A2 PIPERIDINE AND MORPHOLINE RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-10-18 WO disclosed
EP-1807078-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2007-07-18 EP disclosed
WO-2006042150-A1 DIAMINOALKANE ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2006-04-20 WO disclosed