SCHEMBL8025174

SCHEMBL8025174

C=C(CCNC(=O)OC(C)(C)C)C(=O)OCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GAA P10253 2/20 0.43
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ALDH1A1 P00352 5/20 0.39
TSHR P16473 2/20 0.39
EPHX1 P07099 1/20 0.38
CTSK P43235 1/20 0.37
IDO1 P14902 1/20 0.36
PTPRB P23467 1/20 0.36
HTT P42858 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL22975179 0.91 TDP1 (0.50) TDP1MEN1KMT2AGAACA12
SCHEMBL19752761 0.85 TDP1 (0.49) TDP1MEN1KMT2AGAACA12
SCHEMBL18618575 0.84 ALDH1A1 (0.47) TDP1MEN1KMT2AGAACA12
SCHEMBL1784924 0.80 CTSK (0.51) TDP1MEN1KMT2AGAACA12
SCHEMBL4926959 0.80 GAA (0.51) TDP1MEN1KMT2AGAACA12
SCHEMBL27966624 0.80 IDO1 (0.44) TDP1MEN1KMT2AGAACA12
SCHEMBL22871762 0.80 IDO1 (0.41) TDP1MEN1KMT2AGAACA12
SCHEMBL17079183 0.78 TDP1 (0.45) TDP1MEN1KMT2AGAACA12
SCHEMBL20884586 0.77 TDP1 (0.50) TDP1MEN1KMT2AGAACA12
SCHEMBL22693649 0.76 TDP1 (0.53) TDP1MEN1KMT2AGAACA12

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