SCHEMBL28308253

SCHEMBL28308253

CCOC(=O)C(N)(CCC(C)C)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
HPGD P15428 2/20 0.42
MMP8 P22894 1/20 0.40
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
PKM P14618 2/20 0.35
THRB P10828 1/20 0.35
ALOX15 P16050 1/20 0.34
ARG1 P05089 1/20 0.33
ARG2 P78540 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 5/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
MAPT P10636 2/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 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
SCHEMBL27977717 0.81 MMP8 (0.41) HTTHPGDMMP8MEN1KMT2A
SCHEMBL28308283 0.80 MMP8 (0.45) HTTHPGDMMP8MEN1KMT2A
SCHEMBL28307359 0.79 HTT (0.42) HTTHPGDMMP8MEN1KMT2A
SCHEMBL234332 0.78 MMP8 (0.42) HTTHPGDMMP8MEN1KMT2A
SCHEMBL234357 0.77 MEN1 (0.53) HTTHPGDMMP8MEN1KMT2A
SCHEMBL7631636 0.76 MMP8 (0.45) HTTHPGDMMP8MEN1KMT2A
SCHEMBL334816 0.76 MMP8 (0.56) HTTHPGDMMP8MEN1KMT2A
SCHEMBL28077465 0.74 MEN1 (0.46) HTTHPGDMMP8MEN1KMT2A
SCHEMBL7781952 0.74 MMP8 (0.50) HTTHPGDMMP8MEN1KMT2A
SCHEMBL8166936 0.74 MMP8 (0.39) HTTHPGDMMP8MEN1KMT2A

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-109890852-A Catalyst components for the polymerization of olefins 巴塞尔聚烯烃意大利有限公司 2019-06-14 CN disclosed