SCHEMBL30615314

SCHEMBL30615314

COc1cc(C(=O)O)cc(O)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 1.00
CA12 O43570 3/20 0.84
CA1 P00915 3/20 0.84
CA2 P00918 3/20 0.84
CA4 P22748 3/20 0.84
CA6 P23280 3/20 0.84
CA7 P43166 3/20 0.84
CA9 Q16790 3/20 0.84
CA14 Q9ULX7 3/20 0.84
CA3 P07451 2/20 0.84
CA5A P35218 2/20 0.84
CA5B Q9Y2D0 2/20 0.84
PKM P14618 1/20 0.84
TPMT P51580 5/20 0.72
LMNA P02545 4/20 0.64
MAPK1 P28482 2/20 0.64
KDM4E B2RXH2 2/20 0.64
FUT7 Q11130 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
ALDH1A1 P00352 1/20 0.64

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
SCHEMBL975675 1.00 PTGS2 (1.00) PTGS2CA12CA1CA2CA4
Syringic Acid SCHEMBL6072775 0.96 PTGS2 (0.92) PTGS2CA12CA1CA2CA4
Syringic Acid SCHEMBL42751 0.91 CA12 (1.00) PTGS2CA12CA1CA2CA4
Syringic Acid SCHEMBL27602358 0.91 CA12 (1.00) PTGS2CA12CA1CA2CA4
SCHEMBL29913216 0.91 PTGS2 (0.83) PTGS2CA12CA1CA2CA4
SCHEMBL22824549 0.91 PTGS2 (0.83) PTGS2CA12CA1CA2CA4
SCHEMBL24614012 0.89 POLB (0.81) PTGS2CA12CA1CA2CA4
Syringic Acid SCHEMBL27832093 0.89 PKM (0.96) PTGS2CA12CA1CA2CA4
Syringic Acid SCHEMBL30250854 0.89 PKM (0.96) PTGS2CA12CA1CA2CA4
SCHEMBL6072772 0.88 POLB (0.78) PTGS2CA12CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118947705-A Dendrobium officinale cold-resistant agent and use method thereof 福建省亚热带植物研究所 2024-11-15 CN claimed
CN-118947705-A Dendrobium officinale cold-resistant agent and use method thereof 福建省亚热带植物研究所 2024-11-15 CN disclosed
CN-118947705-A Dendrobium officinale cold-resistant agent and use method thereof 福建省亚热带植物研究所 2024-11-15 CN disclosed
CN-118742304-A Compounds and compositions for neurodegenerative diseases 里斯本新大学 2024-10-01 CN disclosed
CN-117794526-A Compositions and methods for antioxidants and anti-inflammatory therapeutics 阿万蒂生物科学股份有限公司 2024-03-29 CN disclosed
CN-115667470-B Lubricating base oil 花王株式会社 2023-10-20 CN disclosed