SCHEMBL17320253

SCHEMBL17320253

C=C(C)C(=O)OCCOC(=O)CCC(=O)NC1CCCCC1NC(=O)CCC(=O)OCCOC(=O)C(=C)C

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ THRB P10828 1/20 0.41
▸ EPHX1 P07099 1/20 0.40
▸ ALDH1A1 P00352 6/20 0.40
▸ HPGD P15428 1/20 0.40
▸ GAA P10253 1/20 0.37
▸ TSHR P16473 2/20 0.37
▸ RECQL P46063 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MAPT P10636 2/20 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
SCHEMBL14396498 0.93 ALDH1A1 (0.46) MEN1KMT2ATHRBEPHX1ALDH1A1
SCHEMBL13762975 0.93 ALDH1A1 (0.46) MEN1KMT2ATHRBEPHX1ALDH1A1
SCHEMBL14417230 0.86 ALDH1A1 (0.46) MEN1KMT2ATHRBEPHX1ALDH1A1
SCHEMBL12203213 0.84 EPHX2 (0.47) THRBEPHX1ALDH1A1TSHR
SCHEMBL14396496 0.84 EPHX2 (0.47) THRBEPHX1ALDH1A1TSHR
SCHEMBL124287 0.79 THRB (0.61) THRBALDH1A1GAATSHRMAPT
SCHEMBL16744077 0.79 THRB (0.61) THRBALDH1A1GAATSHRMAPT
SCHEMBL13475729 0.78 NAAA (0.48) THRBEPHX1ALDH1A1HPGDTSHR
SCHEMBL16425945 0.77 THRB (0.47) THRBALDH1A1TSHRMAPT
SCHEMBL12642765 0.76 THRB (0.53) MEN1KMT2ATHRBALDH1A1GAA

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-1497026-B1 POLYMERIC COMPOSITE CHIRAL STATIONARY PHASES OF BRUSH TYPE UNIV ROMA (IT) 2015-12-09 — — EP disclosed
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