SCHEMBL28468786

SCHEMBL28468786

CC(C)O[Ti]OC(C)C.CCOC(=O)C(C(C)=O)C(C)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HPGD P15428 1/20 0.33
ALOX15 P16050 2/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
SOAT1 P35610 1/20 0.32
CAD P27708 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 3/20 0.31
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GLO1 Q04760 1/20 0.31
TRPA1 O75762 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL123766 0.83 ALDH1A1 (0.52) ALDH1A1LMNAHSD17B10HPGDALOX15
Ethyl Acetate SCHEMBL2531892 0.82 ALDH1A1 (0.61) ALDH1A1LMNAHSD17B10HPGDALOX15
SCHEMBL28190143 0.81 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10HPGDALOX15
SCHEMBL1142681 0.81 TSHR (0.38) TSHR
SCHEMBL29866763 0.79 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10HPGDALOX15
SCHEMBL26302 0.79 ALDH1A1 (0.52) ALDH1A1LMNAHSD17B10HPGDALOX15
SCHEMBL28370473 0.76 GAA (0.50) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL3303175 0.75 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10HPGDALOX15
SCHEMBL10518887 0.75 TSHR (0.33) TSHRTP53
SCHEMBL28266492 0.74 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10HPGDALOX15

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111763493-A Alcohol-type adhesive and preparation method thereof 广州市高士实业有限公司 2020-10-13 CN claimed
CN-111763493-A Alcohol-type adhesive and preparation method thereof 广州市高士实业有限公司 2020-10-13 CN disclosed