SCHEMBL31465656

SCHEMBL31465656

C=C1C(=O)O[C@@H]2[C@H]3C(C)=C(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)C(=O)C3=C(C)CC[C@@H]12

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 2/20 0.44
▸ PKM P14618 2/20 0.37
▸ NLRP3 Q96P20 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ SLC5A2 P31639 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ STAT3 P40763 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ SLC28A3 Q9HAS3 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ EPHX2 P34913 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ CA12 O43570 3/20 0.34
▸ CA9 Q16790 3/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 1/20 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
SCHEMBL16028497 0.79 CYP19A1 (0.53) CYP19A1PKMNLRP3ALDH1A1SLC5A2
Vernoflexuoside SCHEMBL1644624 0.68 PTPN1 (0.38) STAT3
SCHEMBL29425886 0.67 PTPN1 (0.41) ALDH1A1MEN1KMT2ASTAT3POLB
SCHEMBL25632421 0.66 POLB (0.49) ALDH1A1SLC5A2MEN1KMT2APOLB
SCHEMBL1014402 0.66 ACHE (0.35) ALDH1A1SLC5A2MEN1KMT2APOLB
SCHEMBL22882206 0.66 ALDH1A1 (0.49) ALDH1A1SLC5A2MEN1KMT2APOLB
SCHEMBL26601048 0.66 ALDH1A1 (0.49) ALDH1A1SLC5A2MEN1KMT2APOLB
SCHEMBL15173027 0.65 SYNJ2 (0.39) PKMNLRP3MEN1KMT2ASTAT3
SCHEMBL26601099 0.64 ALDH1A1 (0.47) ALDH1A1SLC5A2MEN1KMT2APOLB
SCHEMBL26600978 0.63 ALDH1A1 (0.48) ALDH1A1SLC5A2MEN1KMT2APOLB

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-119770508-A Application of guaiane type sesquiterpene compound in preparation of medicine for treating kidney injury 南京中医药大学 2025-04-08 — — CN disclosed
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