SCHEMBL28429178

SCHEMBL28429178

C=CC(=O)OC(CC)[Si](C)(C)OCc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.36
HCAR2 Q8TDS4 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
THRB P10828 3/20 0.35
LMNA P02545 2/20 0.35
ATM Q13315 1/20 0.34
TGM2 P21980 1/20 0.34
TSHR P16473 1/20 0.34
HPGD P15428 1/20 0.33
TEAD3 Q99594 1/20 0.33
CETP P11597 3/20 0.33
THRA P10827 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL29277861 0.90 ALDH1A1 (0.36) ALDH1A1HCAR2CYP3A4CYP2C9CYP2C19
SCHEMBL1066663 0.85 ALDH1A1 (0.35) ALDH1A1HCAR2CYP3A4CYP2C9CYP2C19
SCHEMBL1067127 0.85 ALDH1A1 (0.35) ALDH1A1HCAR2CYP3A4CYP2C9CYP2C19
SCHEMBL29277862 0.81 THRB (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19THRB
SCHEMBL139100 0.78 TSHR (0.35) ALDH1A1CYP3A4TSHRHPGD
SCHEMBL1066231 0.76 THRB (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19THRB
SCHEMBL1065011 0.75 LMNA (0.37) ALDH1A1HCAR2THRBLMNAATM
SCHEMBL12471306 0.75 SLC1A3 (0.41) ALDH1A1HCAR2CYP3A4CYP2C9CYP2C19
SCHEMBL18918481 0.75 TSHR (0.37) ALDH1A1CYP3A4THRBTSHRHPGD
SCHEMBL8668330 0.75 THRB (0.35) ALDH1A1HCAR2CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117377722-A Rubber composition and tire 株式会社普利司通 2024-01-09 CN disclosed
CN-111465645-A Rubber composition and pneumatic tire 株式会社普利司通 2020-07-28 CN disclosed
CN-108602987-B Rubber composition and tire 株式会社普利司通 2020-07-21 CN disclosed