SCHEMBL28237103

SCHEMBL28237103

CCOC(=O)C(CC(C)C(C)C)C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 2/20 0.37
ALOX15 P16050 1/20 0.37
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SOAT1 P35610 1/20 0.37
TDP1 Q9NUW8 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CAD P27708 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C19 P33261 1/20 0.35
MMP8 P22894 1/20 0.35
TRPA1 O75762 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL4613459 0.83 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10GAAALOX15
SCHEMBL28237120 0.83 HCAR2 (0.35) ALDH1A1LMNAHSD17B10TDP1
SCHEMBL8752092 0.81 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10GAAALOX15
SCHEMBL335607 0.81 ALDH1A1 (0.43) ALDH1A1LMNAHSD17B10GAAALOX15
SCHEMBL30411265 0.80 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10GAAALOX15
SCHEMBL28236035 0.80 TSHR (0.42) ALDH1A1LMNAHSD17B10TDP1MEN1
SCHEMBL27779009 0.79 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10GAAALOX15
SCHEMBL10807025 0.79 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10GAAALOX15
SCHEMBL28237178 0.78 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10GAAALOX15
SCHEMBL27436776 0.77 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10GAAALOX15

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-108473612-A The manufacturing method of solid catalyst component for olefin polymerization, polymerization of olefines catalyst and olefin polymer 东邦钛株式会社 2018-08-31 CN disclosed