SCHEMBL29707463

SCHEMBL29707463

CC(C)COC(=O)OOC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
ALDH1A1 P00352 4/20 0.44
TDP1 Q9NUW8 3/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
NFKB1 P19838 1/20 0.38
PTGS1 P23219 1/20 0.38
APEX1 P27695 1/20 0.38
THPO P40225 1/20 0.38
PMP22 Q01453 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.33
HPGD P15428 1/20 0.32
PLA2G1B P04054 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32
RAB9A P51151 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
P2RX4 Q99571 1/20 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
SCHEMBL631747 0.85 TSHR (0.50) TSHRALDH1A1TDP1MEN1LMNA
SCHEMBL30018016 0.81 TSHR (0.46) TSHRALDH1A1TDP1MEN1LMNA
SCHEMBL20394089 0.80 TSHR (0.42) TSHRALDH1A1TDP1MEN1LMNA
SCHEMBL25435787 0.80 TSHR (0.54) TSHRALDH1A1TDP1MEN1LMNA
SCHEMBL37351 0.80 TSHR (0.54) TSHRALDH1A1TDP1MEN1LMNA
SCHEMBL17727760 0.79 TSHR (0.45) TSHRALDH1A1TDP1MEN1LMNA
Ammonia Solution, Strong SCHEMBL9998248 0.78 TSHR (0.52) TSHRALDH1A1TDP1MEN1LMNA
SCHEMBL2375362 0.77 TSHR (0.43) TSHRALDH1A1TDP1MEN1LMNA
SCHEMBL1562931 0.77 TSHR (0.38) TSHRALDH1A1
SCHEMBL3116763 0.76 TSHR (0.46) TSHRALDH1A1TDP1MEN1LMNA

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
US-12018139-B2 Use of a mixture of organic peroxides for crosslinking a polyolefin elastomer ARKEMA FRANCE (FR) 2024-06-25 US disclosed
CN-111479862-B Use of mixtures of organic peroxides for crosslinking polyolefin elastomers 阿科玛法国公司 2022-05-31 CN disclosed