SCHEMBL28872919

SCHEMBL28872919

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.58
▸ MEN1 O00255 3/20 0.58
▸ SLC22A6 Q4U2R8 1/20 0.58
▸ SLC22A8 Q8TCC7 1/20 0.58
▸ RAB9A P51151 1/20 0.58
▸ HSD17B2 P37059 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ KDM4E B2RXH2 1/20 0.55
▸ POLB P06746 1/20 0.55
▸ HDAC6 Q9UBN7 1/20 0.55
▸ CYP1A2 P05177 1/20 0.49
▸ HSP90AA1 P07900 1/20 0.49
▸ HSP90AB1 P08238 1/20 0.49
▸ BLM P54132 1/20 0.49
▸ TRPA1 O75762 1/20 0.49
▸ ABCG2 Q9UNQ0 1/20 0.47
▸ GAA P10253 2/20 0.47
▸ CYP2D6 P10635 1/20 0.46
▸ EPHX2 P34913 1/20 0.46
▸ ALDH1A1 P00352 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
SCHEMBL26622367 0.84 MAPT (0.55) KMT2AMEN1RAB9AKDM4ECYP1A2
SCHEMBL25311659 0.83 PKM (0.53) KMT2AMEN1SLC22A6SLC22A8RAB9A
SCHEMBL25362422 0.81 KMT2A (0.62) KMT2AMEN1SLC22A6SLC22A8RAB9A
SCHEMBL18199215 0.81 HDAC6 (0.78) KMT2AMEN1SLC22A6SLC22A8RAB9A
SCHEMBL3751049 0.81 SLC22A6 (0.66) KMT2AMEN1SLC22A6SLC22A8RAB9A
SCHEMBL9553296 0.81 KMT2A (0.66) KMT2AMEN1SLC22A6SLC22A8RAB9A
SCHEMBL27317688 0.80 MEN1 (0.50) KMT2AMEN1HTTPOLBABCG2
Methyl Vanillate SCHEMBL275939 0.79 KMT2A (0.72) KMT2AMEN1SLC22A6SLC22A8RAB9A
Methyl Vanillate SCHEMBL31157843 0.79 KMT2A (0.72) KMT2AMEN1SLC22A6SLC22A8RAB9A
Methyl Vanillate SCHEMBL25417789 0.79 KMT2A (0.72) KMT2AMEN1SLC22A6SLC22A8RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117659259-A Vanillin ester acrylate self-polishing antifouling resin and preparation method and application thereof 哈尔滨工程大学 2024-03-08 — — CN claimed
CN-117659259-A Vanillin ester acrylate self-polishing antifouling resin and preparation method and application thereof 哈尔滨工程大学 2024-03-08 — — CN disclosed
CN-113801505-B Full-bio-based thermosetting resin and preparation method and application thereof 广东碳和新材料科技有限公司 2022-10-25 — — CN disclosed
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