SCHEMBL29226703

SCHEMBL29226703

C=CC(=O)OC(CCCC)OCCCCC

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.47
HPGD P15428 1/20 0.47
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
THRB P10828 2/20 0.38
HCAR2 Q8TDS4 2/20 0.37
PLA2G2C Q5R387 2/20 0.36
LMNA P02545 2/20 0.35
THRA P10827 1/20 0.35
ATM Q13315 1/20 0.34
SMPD1 P17405 2/20 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
SCHEMBL9480309 0.95 TSHR (0.46) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL10715320 0.92 TSHR (0.46) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL1964322 0.92 TSHR (0.49) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL4134511 0.89 TSHR (0.44) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL752302 0.89 TSHR (0.53) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL4957917 0.87 TSHR (0.47) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL9578994 0.86 TSHR (0.54) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL5369953 0.86 TSHR (0.50) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL160397 0.84 TSHR (0.50) TSHRHPGDTHRBLMNATHRA
SCHEMBL16949659 0.84 TSHR (0.43) TSHRHPGDTHRBLMNATHRA

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-118165169-A Method for producing acrylic elastomer polymer, and polymer, rubber composition, vulcanized rubber and rubber enclosure 交通运输部科学研究院 2024-06-11 CN disclosed