SCHEMBL31376296

SCHEMBL31376296

C=CCC(O)c1ccc(OC)c(OC)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.53
PPARD Q03181 2/20 0.53
PPARA Q07869 2/20 0.53
CYP3A4 P08684 1/20 0.49
TSHR P16473 1/20 0.49
ALDH1A1 P00352 2/20 0.49
NFKB1 P19838 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
HIF1A Q16665 2/20 0.46
EPAS1 Q99814 1/20 0.46
KMT2A Q03164 2/20 0.46
HTT P42858 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
ACHE P22303 2/20 0.45

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
SCHEMBL27983620 1.00 PPARG (0.53) PPARGPPARDPPARACYP3A4TSHR
SCHEMBL27983345 1.00 PPARG (0.53) PPARGPPARDPPARACYP3A4TSHR
SCHEMBL27983181 1.00 PPARG (0.53) PPARGPPARDPPARACYP3A4TSHR
SCHEMBL14032494 0.81 ALDH1A1 (0.50) PPARGPPARDPPARAALDH1A1SMN1; SMN2
SCHEMBL7297988 0.81 PPARG (0.57) PPARGPPARDPPARACYP3A4TSHR
SCHEMBL10335590 0.80 PPARG (0.61) PPARGPPARDPPARACYP3A4TSHR
SCHEMBL6055371 0.80 PPARG (0.61) PPARGPPARDPPARACYP3A4TSHR
SCHEMBL14032381 0.80 PPARG (0.49) PPARGPPARDPPARAALDH1A1SMN1; SMN2
SCHEMBL11661594 0.80 ALDH1A1 (0.49) PPARGPPARDPPARAALDH1A1SMN1; SMN2
SCHEMBL22785859 0.79 CYP3A4 (0.74) PPARGPPARDPPARACYP3A4TSHR

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-119504665-B 2-Aryl-3-acyloxy tetrahydrofuran compound, preparation method and application thereof 遵义医科大学 2025-06-10 CN disclosed
CN-119504665-A 2-Aryl-3-acyloxy tetrahydrofuran compound, preparation method and application thereof 遵义医科大学 2025-02-25 CN disclosed