SCHEMBL28308258

SCHEMBL28308258

CCOC(=O)C(N)(CC)CC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.50
CYP4F2 P78329 2/20 0.37
CYP4A11 Q02928 2/20 0.37
ALOX15 P16050 1/20 0.37
ALDH1A1 P00352 5/20 0.34
PKM P14618 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 1/20 0.34
THRB P10828 2/20 0.33
HTT P42858 2/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP1A2 P05177 1/20 0.33
GAA P10253 2/20 0.32
MAPT P10636 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
SCHEMBL28308252 0.85 MMP8 (0.47) MMP8CYP4F2CYP4A11ALOX15ALDH1A1
SCHEMBL27323787 0.84 MMP8 (0.53) MMP8CYP4F2CYP4A11ALOX15ALDH1A1
SCHEMBL4973323 0.84 MMP8 (0.46) MMP8CYP4F2CYP4A11ALOX15ALDH1A1
SCHEMBL3176588 0.83 ALOX15 (0.46) MMP8CYP4F2CYP4A11ALOX15ALDH1A1
SCHEMBL28307359 0.81 HTT (0.42) MMP8CYP4F2CYP4A11ALOX15ALDH1A1
Hydrochloric Acid SCHEMBL14152453 0.81 ALOX15 (0.44) MMP8CYP4F2CYP4A11ALOX15ALDH1A1
SCHEMBL6594108 0.78 MMP8 (0.56) MMP8CYP4F2CYP4A11ALOX15ALDH1A1
SCHEMBL9052824 0.76 MMP8 (0.53) MMP8CYP4F2CYP4A11ALOX15ALDH1A1
SCHEMBL14417059 0.76 MMP8 (0.53) MMP8CYP4F2CYP4A11ALOX15ALDH1A1
SCHEMBL6518493 0.75 MEN1 (0.38) MMP8ALDH1A1MEN1KMT2ATHRB

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