SCHEMBL13625481

SCHEMBL13625481

OCCCOCCOCCOCCO

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.73
KMT2A Q03164 4/20 0.73
TSHR P16473 3/20 0.67
MAPK1 P28482 2/20 0.67
THRB P10828 1/20 0.59
HTT P42858 1/20 0.59
MAPT P10636 1/20 0.59
ALDH1A1 P00352 3/20 0.45
GAA P10253 1/20 0.37
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
CASP1 P29466 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLCO1B3 Q9NPD5 1/20 0.33
SLCO1B1 Q9Y6L6 1/20 0.33
APP P05067 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32

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
SCHEMBL22144196 1.00 MEN1 (0.73) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL12595181 1.00 MEN1 (0.73) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL2307153 1.00 MEN1 (0.73) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL29861938 0.97 MEN1 (0.69) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL168645 0.97
SCHEMBL8026479 0.93 TSHR (0.67) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL1725816 0.93 MEN1 (0.60) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL4422977 0.93 MEN1 (0.60) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL1006922 0.91 MEN1 (0.61) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL20534626 0.90 TSHR (0.62) MEN1KMT2ATSHRMAPK1THRB

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-3274340-B1 INHIBITORS OF HEPATITIS C VIRUS POLYMERASE COCRYSTAL PHARMA INC (US) 2019-07-17 EP disclosed
WO-2009136352-A1 ANTI-ANGIOGENIC COMPOUNDS COVX TECHNOLOGIES IRELAND, LTD. (IE) 2009-11-12 WO disclosed