SCHEMBL28865223

SCHEMBL28865223

CCOC(=O)C(C)(C)C.[Zn]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.52
CYP4A11 Q02928 3/20 0.52
ALDH1A1 P00352 3/20 0.48
LMNA P02545 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PKM P14618 3/20 0.44
MMP8 P22894 2/20 0.44
ALOX15 P16050 1/20 0.43
MGAM O43451 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
SOAT1 P35610 1/20 0.43
KDM4E B2RXH2 1/20 0.43
PRKCA P17252 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
THRB P10828 1/20 0.42
ABCB11 O95342 1/20 0.41
CYP1A2 P05177 1/20 0.41

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
SCHEMBL126096 0.97
Ammonia Solution, Strong SCHEMBL27789132 0.94 CYP4F2 (0.52) CYP4F2CYP4A11ALDH1A1LMNAHSD17B10
Water SCHEMBL28164140 0.94 CYP4F2 (0.52) CYP4F2CYP4A11ALDH1A1LMNAHSD17B10
Hydrochloric Acid SCHEMBL29726512 0.94 CYP4F2 (0.52) CYP4F2CYP4A11ALDH1A1LMNAHSD17B10
Alcohol SCHEMBL12506185 0.92 CYP4F2 (0.55) CYP4F2CYP4A11ALDH1A1LMNAHSD17B10
SCHEMBL7763887 0.85 CYP4F2 (0.46) CYP4F2CYP4A11ALDH1A1LMNAHSD17B10
SCHEMBL1970967 0.82 CYP4F2 (0.43) CYP4F2CYP4A11ALDH1A1LMNAHSD17B10
SCHEMBL23292898 0.80 CYP4F2 (0.44) CYP4F2CYP4A11ALDH1A1LMNAHSD17B10
SCHEMBL24961537 0.80 GAA (0.48) CYP4F2CYP4A11ALDH1A1LMNAHSD17B10
SCHEMBL16795835 0.80 CYP4F2 (0.42) CYP4F2CYP4A11ALDH1A1LMNAHSD17B10

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-108586500-A Zinc co-ordination complex and the method for preparing organic zinc reagent 慕尼黑路德维希马克西米利安斯大学 2018-09-28 CN disclosed