SCHEMBL31520187

SCHEMBL31520187

C=CC(=O)OCCCCCCOc1ccc(COc2ccc(OCc3ccc(OCCCCCCOC(=O)C=C)c(C)c3)c(C)c2)cc1C

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
PPARD Q03181 4/20 0.42
PPARG P37231 2/20 0.42
PPARA Q07869 1/20 0.42
FFAR1 O14842 5/20 0.41
FFAR4 Q5NUL3 5/20 0.41
HPGD P15428 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL31520188 0.86 TSHR (0.43) TSHRALDH1A1CYP3A4PPARDPPARG
SCHEMBL29930734 0.85 PPARD (0.51) TSHRALDH1A1CYP3A4PPARDPPARG
SCHEMBL2404069 0.85 PPARD (0.51) TSHRALDH1A1CYP3A4PPARDPPARG
SCHEMBL21574455 0.84 MAPT (0.41) TSHRALDH1A1CYP3A4PPARDPPARG
SCHEMBL31520191 0.80 TSHR (0.41) TSHRALDH1A1CYP3A4HPGDMAPT
SCHEMBL26120890 0.79 TSHR (0.54) TSHRALDH1A1CYP3A4PPARDPPARG
SCHEMBL27281016 0.79 MAPT (0.41) CYP3A4MAPT
SCHEMBL20709721 0.79 HTT (0.50) ALDH1A1MAPTTDP1
SCHEMBL14946577 0.78 THRB (0.45) TSHRALDH1A1CYP3A4PPARDPPARG
SCHEMBL12173356 0.78 PDE4A (0.49) TSHRALDH1A1CYP3A4PPARDPPARG

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-119920967-A Liquid crystal-based polymer solid electrolyte composition, liquid crystal-based polymer solid electrolyte, preparation method of liquid crystal-based polymer solid electrolyte and lithium metal battery 中国石油化工股份有限公司 2025-05-02 CN claimed
CN-119920967-A Liquid crystal-based polymer solid electrolyte composition, liquid crystal-based polymer solid electrolyte, preparation method of liquid crystal-based polymer solid electrolyte and lithium metal battery 中国石油化工股份有限公司 2025-05-02 CN disclosed