SCHEMBL28301938

SCHEMBL28301938

O=C1NC(=O)C(c2ccccc2)=C1CC=CO

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 5/20 0.45
▸ GSK3B P49841 11/20 0.42
▸ CAMK2D Q13557 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
SCHEMBL3805627 0.80 GSK3B (0.45) PTGS2GSK3BCAMK2D
SCHEMBL9065563 0.77 GSK3B (0.52) PTGS2GSK3BCAMK2D
SCHEMBL27287595 0.74 PTGS2 (0.50) PTGS2GSK3BCAMK2D
SCHEMBL3719735 0.74 PTGS2 (0.51) PTGS2GSK3B
SCHEMBL7860145 0.74 GSK3B (0.49) PTGS2GSK3BCAMK2D
SCHEMBL114611 0.72 PTGS2 (0.67) PTGS2GSK3B
SCHEMBL9474080 0.70 PTGS2 (0.64) PTGS2GSK3B
SCHEMBL1817005 0.69 PTGS2 (0.46) PTGS2GSK3B
SCHEMBL9562583 0.69 GSK3B (0.41) PTGS2GSK3BCAMK2D
SCHEMBL187764 0.67 PTGS2 (0.61) PTGS2GSK3B

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-110025504-A Photo-curable nail cosmetic material 科巨希化学股份有限公司 2019-07-19 — — CN disclosed
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