SCHEMBL8017155

SCHEMBL8017155

CCOC(=O)[C@H](C)CCNC(=O)OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
GAA P10253 1/20 0.51
TDP1 Q9NUW8 1/20 0.46
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA12 O43570 2/20 0.42
CA9 Q16790 2/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
EPHX1 P07099 1/20 0.39
KCNA5 P22460 1/20 0.38
CA7 P43166 1/20 0.38
CTSK P43235 4/20 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
SCHEMBL8012876 1.00 MEN1 (0.51) MEN1KMT2AGAATDP1CYP1A2
SCHEMBL21001852 0.91 MEN1 (0.60) MEN1KMT2AGAATDP1CYP1A2
SCHEMBL1262487 0.87 MEN1 (0.54) MEN1KMT2AGAATDP1HTT
SCHEMBL8026936 0.87 MEN1 (0.54) MEN1KMT2AGAATDP1HTT
SCHEMBL18760388 0.85 MEN1 (0.53) MEN1KMT2AGAATDP1CYP1A2
SCHEMBL6224692 0.83 CYP1A2 (0.44) MEN1KMT2AGAATDP1CYP1A2
SCHEMBL8465153 0.83 CYP1A2 (0.44) MEN1KMT2AGAATDP1CYP1A2
SCHEMBL28220300 0.83 CYP1A2 (0.44) MEN1KMT2AGAATDP1CYP1A2
SCHEMBL26790537 0.83 MEN1 (0.54) MEN1KMT2AGAATDP1CYP1A2
SCHEMBL15723436 0.81 MEN1 (0.65) MEN1KMT2AGAATDP1CYP1A2

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-2245009-B1 PROCESS AND INTERMEDIATES FOR THE PREPARATION OF 5-BIPHENYL-4-YL-2-METHYLPENTANOIC ACID DERIVATIVES NOVARTIS AG (CH) 2016-08-10 EP disclosed
WO-2009090251-A2 NEW PROCESSES NOVARTIS AG (CH) 2009-07-23 WO disclosed