SCHEMBL7809336

SCHEMBL7809336

OCCOCCOCCOCC(O)NC(O)COCCOCCOCCO

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
TSHR P16473 2/20 0.48
MAPK1 P28482 1/20 0.48
THRB P10828 1/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL7808059 1.00 MEN1 (0.52) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL7809339 1.00 MEN1 (0.52) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL3084586 1.00 MEN1 (0.52) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL399170 0.95 TSHR (0.45) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL9799096 0.87 MEN1 (0.44) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL9799369 0.87 MEN1 (0.44) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL9799790 0.82 TSHR (0.38) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL3227281 0.82 MEN1 (0.48) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL6666230 0.77 MEN1 (0.61) MEN1KMT2ATSHRMAPK1THRB
SCHEMBL15253483 0.77 MEN1 (0.61) 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-1137628-A1 MOLECULAR SCAFFOLDS ACTING AS TEMPLATES COMPRISING CARBAMATE LINKAGES LA JOLLA PHARMACEUTICAL COMPANY (CA) 2001-10-04 EP disclosed
WO-2000034231-A1 MOLECULAR SCAFFOLDS ACTING AS TEMPLATES COMPRISING CARBAMATE LINKAGES LA JOLLA PHARMACEUTICAL COMPANY (US) 2000-06-15 WO disclosed