SCHEMBL28361502

SCHEMBL28361502

CCOC(=O)C(C)(OCC)C(C)N(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.41
CYP4F2 P78329 3/20 0.36
CYP4A11 Q02928 3/20 0.36
PKM P14618 3/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ABCB11 O95342 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
HTR2A P28223 1/20 0.33
PMP22 Q01453 1/20 0.33
PPARA Q07869 1/20 0.33
THRB P10828 1/20 0.33
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HTT P42858 1/20 0.32
CHRNB2 P17787 2/20 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
SCHEMBL16867316 0.76 MMP8 (0.40) MMP8CYP4F2CYP4A11PKMALDH1A1
SCHEMBL28834601 0.70 MAPK1 (0.30)
SCHEMBL195662 0.69 CYP4F2 (0.56) MMP8CYP4F2CYP4A11PKMALDH1A1
SCHEMBL6507050 0.69 CYP4F2 (0.48) MMP8CYP4F2CYP4A11PKMALDH1A1
SCHEMBL5469810 0.69 CYP4F2 (0.44) MMP8CYP4F2CYP4A11PKMALDH1A1
SCHEMBL4719692 0.68 ALDH1A1 (0.39) MMP8CYP4F2CYP4A11PKMALDH1A1
SCHEMBL3277580 0.67 MMP8 (0.48) MMP8CYP4F2CYP4A11PKMALDH1A1
SCHEMBL4414269 0.67 MMP8 (0.48) MMP8CYP4F2CYP4A11PKMALDH1A1
SCHEMBL1605028 0.67 MMP8 (0.48) MMP8CYP4F2CYP4A11PKMALDH1A1
SCHEMBL5515278 0.67 MMP8 (0.48) MMP8CYP4F2CYP4A11PKMALDH1A1

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
CN-110709149-A Method for purifying (meth) acrylic esters 阿科玛法国公司 2020-01-17 CN disclosed