SCHEMBL30817035

SCHEMBL30817035

O=C(O)C/C=C/c1cccc(O)c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PAM P19021 1/20 0.67
▸ LCK P06239 2/20 0.53
▸ CCNB2 O95067 1/20 0.53
▸ CDK1 P06493 1/20 0.53
▸ CDK4 P11802 1/20 0.53
▸ CCNB1 P14635 1/20 0.53
▸ CCND1 P24385 1/20 0.53
▸ CCNB3 Q8WWL7 1/20 0.53
▸ MMP1 P03956 4/20 0.50
▸ MMP2 P08253 4/20 0.50
▸ MMP9 P14780 4/20 0.50
▸ P4HB P07237 1/20 0.50
▸ AKR1B10 O60218 1/20 0.49
▸ AKR1B1 P15121 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ FBP1 P09467 1/20 0.49
▸ MAOA P21397 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ HSP90AA1 P07900 1/20 0.47

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
SCHEMBL29166002 1.00 PAM (0.67) PAMLCKCCNB2CDK1CDK4
SCHEMBL3292454 0.81 PAM (0.65) PAMFBP1MAOAMAOB
SCHEMBL3292458 0.81 PAM (0.65) PAMFBP1MAOAMAOB
SCHEMBL7612524 0.81 PAM (0.65) PAMMAOAMAOB
SCHEMBL9294589 0.81 PAM (0.65) PAMP4HBFBP1
SCHEMBL7612527 0.81 PAM (0.65) PAMMAOAMAOB
SCHEMBL582727 0.81 PAM (1.00) PAMMAOAMAOB
SCHEMBL2148302 0.81 PAM (1.00) PAMMAOAMAOB
SCHEMBL156767 0.81 PAM (1.00) PAMMAOAMAOB
SCHEMBL9044877 0.80 PAM (0.59) PAMFBP1MAOAMAOB

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-117510397-A Styrene acetate compound and preparation method and application thereof 青海大学 2024-02-06 — — CN disclosed
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