SCHEMBL30786642

SCHEMBL30786642

COc1ccc(/C=C/C(=O)OC[C@H]2OC(OC)[C@H](O)[C@@H](O)[C@@H]2O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 3/20 0.57
▸ CA2 P00918 1/20 0.57
▸ CYP19A1 P11511 1/20 0.52
▸ PRKCA P17252 1/20 0.52
▸ LMNA P02545 2/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ LDHA P00338 1/20 0.49
▸ EPHX2 P34913 2/20 0.47
▸ ELANE P08246 1/20 0.47
▸ CA12 O43570 3/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ TYR P14679 1/20 0.47
▸ CA4 P22748 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ SNCA P37840 1/20 0.46
▸ GSK3B P49841 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SLC5A1 P13866 1/20 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
SCHEMBL30786626 0.90 PRKCA (0.53) CA9CA2CYP19A1PRKCALDHA
SCHEMBL30786640 0.89 PRKCA (0.52) CA9CA2CYP19A1PRKCALMNA
SCHEMBL30786637 0.89 PRKCA (0.52) CA9CA2CYP19A1PRKCALDHA
SCHEMBL30786632 0.89 PRKCA (0.52) CA9CA2CYP19A1PRKCALDHA
SCHEMBL30786619 0.88 PRKCA (0.52) CA9CA2CYP19A1PRKCALMNA
SCHEMBL30786628 0.87 PRKCA (0.48) CA9CA2CYP19A1PRKCALDHA
SCHEMBL30786631 0.86 PRKCA (0.50) CA9CA2CYP19A1PRKCALDHA
SCHEMBL28901133 0.84 PRKCA (0.72) CYP19A1PRKCATDP1LDHACA12
SCHEMBL3366430 0.83 MAOB (0.60) CA9CA2CYP19A1PRKCALMNA
SCHEMBL30786617 0.83 PTPN1 (0.52) CA9CA2CYP19A1PRKCALMNA

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-117720598-A Cinnamic acid derivative and preparation method and application thereof 华中科技大学 2024-03-19 — — CN disclosed
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