SCHEMBL17850552

SCHEMBL17850552

CC[C@@H](C)OC(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.47
ALPL P05186 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
TDP1 Q9NUW8 2/20 0.45
MAPT P10636 2/20 0.45
HDAC1 Q13547 2/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
ALOX15 P16050 1/20 0.44
APEX1 P27695 1/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL29012476 1.00 MEN1 (0.58) MEN1KMT2AL3MBTL1ALPLGAA
SCHEMBL569726 0.88 MEN1 (0.59) MEN1KMT2AL3MBTL1CA1CA2
SCHEMBL1965809 0.88 CA12 (0.53) L3MBTL1CA1CA2MAPTALDH1A1
SCHEMBL17699412 0.86 MEN1 (0.52) MEN1KMT2AL3MBTL1ALPLGAA
SCHEMBL18844819 0.85 UTS2R (0.48) MEN1KMT2ACA1CA2LMNA
SCHEMBL17965728 0.84 MEN1 (0.49) MEN1KMT2AL3MBTL1ALPLGAA
SCHEMBL1798327 0.84 MEN1 (0.55) MEN1KMT2AL3MBTL1CA1CA2
SCHEMBL15710024 0.84 MEN1 (0.55) MEN1KMT2AL3MBTL1HTTCA1
SCHEMBL4578229 0.84 MEN1 (0.55) MEN1KMT2AL3MBTL1CA1CA2
SCHEMBL17699407 0.84 MEN1 (0.49) MEN1KMT2AL3MBTL1ALPLGAA

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-2771320-B1 CYCLOHEXYLAMINES ENDO PHARMACEUTICALS INC (US) 2016-06-22 EP disclosed