SCHEMBL19237129

SCHEMBL19237129

COC(c1ccccc1C=O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 5/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TSHR P16473 1/20 0.39
GAA P10253 2/20 0.38
NPSR1 Q6W5P4 1/20 0.37
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ERN1 O75460 2/20 0.36
TLR2 O60603 1/20 0.36
TLR1 Q15399 1/20 0.36
TLR6 Q9Y2C9 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
SCHEMBL19445276 0.82 ALDH1A1 (0.35) KMT2AMEN1ALDH1A1
SCHEMBL2082916 0.81 LMNA (0.38) LMNAKMT2AMEN1THRBBLM
SCHEMBL5088000 0.81 LMNA (0.48) LMNAKMT2AMEN1THRBBLM
SCHEMBL4120625 0.78 LMNA (0.34) LMNAKMT2AMEN1THRBBLM
SCHEMBL14237001 0.77 LMNA (0.48) LMNAKMT2AMEN1THRBBLM
SCHEMBL15623963 0.74 CA1 (0.46) LMNAKMT2AMEN1THRBBLM
SCHEMBL14236913 0.71 LMNA (0.41) LMNAKMT2AMEN1THRBBLM
SCHEMBL10625734 0.71 LMNA (0.50) LMNAKMT2AMEN1THRBBLM
SCHEMBL10715232 0.70 FABP4 (0.42) LMNAKMT2AMEN1THRBBLM
SCHEMBL385724 0.70 LMNA (0.55) LMNAKMT2AMEN1THRBBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2714648-B1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2017-08-16 EP disclosed