SCHEMBL28078298

SCHEMBL28078298

CCOC(=O)C(C)C1(O)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
LMNA P02545 2/20 0.37
HSD17B10 Q99714 1/20 0.37
ALOX15 P16050 2/20 0.36
GAA P10253 2/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
MAPT P10636 3/20 0.34
KMT2A Q03164 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
HPGD P15428 2/20 0.33
TRPA1 O75762 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL17077687 0.92 ALDH1A1 (0.33) ALDH1A1LMNAHSD17B10ALOX15GAA
SCHEMBL1185736 0.92 ALDH1A1 (0.36) ALDH1A1LMNAHSD17B10ALOX15GAA
SCHEMBL10019502 0.88 L3MBTL1 (0.34) ALDH1A1LMNAHSD17B10KDM4ECYP3A4
SCHEMBL11409433 0.87 OPRM1 (0.42) ALDH1A1LMNAHSD17B10ALOX15GAA
SCHEMBL26985947 0.80 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10ALOX15GAA
SCHEMBL9195931 0.79 TRPM8 (0.37) ALDH1A1LMNAGAAMAPTKDM4E
SCHEMBL4418134 0.77 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10ALOX15GAA
SCHEMBL12184488 0.77 USP2 (0.42) ALOX15L3MBTL1HPGD
SCHEMBL21798176 0.74 ALDH1A1 (0.34) ALDH1A1LMNAHSD17B10ALOX15GAA
SCHEMBL17077627 0.74 ALDH1A1 (0.31) ALDH1A1LMNAHSD17B10TRPA1

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-105732382-B Intermediates and processes for preparing 4-alkyl-3-methylenylbutyl carboxylates 信越化学工业株式会社 2021-03-09 CN disclosed
CN-105732382-A Method for producing 4-alkyl-3-methylenebutyl carboxylate 信越化学工业株式会社 2016-07-06 CN disclosed