SCHEMBL11111060

SCHEMBL11111060

C=CCN(OC(=O)CCCC)C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
ALDH1A1 P00352 4/20 0.35
LMNA P02545 3/20 0.35
CES1 P23141 2/20 0.34
DGKA P23743 1/20 0.34
HPGD P15428 1/20 0.33
CES2 O00748 1/20 0.33
FAAH O00519 1/20 0.33
DNM1 Q05193 1/20 0.33
PAM P19021 2/20 0.32
HCAR2 Q8TDS4 1/20 0.32
KDM6B O15054 1/20 0.32
KDM5C P41229 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
ATM Q13315 1/20 0.32
TP53 P04637 1/20 0.31

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
SCHEMBL3514262 0.79 DNM1 (0.40) TSHRALDH1A1LMNACES1DGKA
SCHEMBL11111063 0.78 HCAR2 (0.42) TSHRALDH1A1HPGDCES2FAAH
SCHEMBL8630003 0.76 ALDH1A1 (0.34) ALDH1A1
SCHEMBL8503383 0.72 KDM6B (0.58) TSHRALDH1A1LMNACES1DGKA
SCHEMBL11105630 0.72 HCAR2 (0.37) TSHRALDH1A1HPGDHCAR2ATM
SCHEMBL11110109 0.71 ALDH1A1 (0.38) TSHRALDH1A1LMNAHCAR2
SCHEMBL11038420 0.70
SCHEMBL19171462 0.69 TSHR (0.46) TSHRALDH1A1LMNACES1DGKA
SCHEMBL9478183 0.68 DGKA (0.52) TSHRALDH1A1LMNACES1DGKA
SCHEMBL17466647 0.68 TSHR (0.42) TSHRALDH1A1HPGDFAAHHCAR2

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-0103895-A2 Novel hydroxylamine derivatives, production and use thereof MEIJI SEIKA KABUSHIKI KAISHA (JP) 1984-03-28 EP disclosed