SCHEMBL29619581

SCHEMBL29619581

C=CC(=O)OCCc1cccc(C(=O)O)c1CCO

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.47
TSHR P16473 5/20 0.42
ALDH1A1 P00352 6/20 0.39
TP53 P04637 2/20 0.39
HIF1A Q16665 2/20 0.39
HSD17B10 Q99714 1/20 0.39
PTPN1 P18031 2/20 0.36
CYP3A4 P08684 1/20 0.36
HMGB1 P09429 1/20 0.35
FOLH1 Q04609 2/20 0.35
HCAR2 Q8TDS4 1/20 0.35
HPGD P15428 1/20 0.33
AKR1B10 O60218 1/20 0.33
AKR1B1 P15121 1/20 0.33
KMT2A Q03164 1/20 0.33
PTK2B Q14289 1/20 0.33
THRA P10827 1/20 0.33
PPARG P37231 1/20 0.32
PPARA Q07869 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
SCHEMBL29150983 0.85 THRB (0.48) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL27407039 0.85 THRB (0.49) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL2320055 0.84 THRB (0.55) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL2320528 0.83 THRB (0.58) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL57689 0.83 THRB (0.43) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL57853 0.82 THRB (0.50) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL29612237 0.82 THRB (0.50) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL10686304 0.81 THRB (0.48) THRBTSHRALDH1A1TP53HIF1A
Triethylene Glycol SCHEMBL28273454 0.80 ALDH1A1 (0.45) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL28338758 0.80 THRB (0.57) THRBTSHRALDH1A1TP53HIF1A

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-114671985-A Curable composition, method for producing same, and article using same 大金工业株式会社 2022-06-28 CN disclosed
CN-109476795-B Curable composition, method for producing same, and article using same 大金工业株式会社 2022-05-06 CN disclosed