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SCHEMBL11269695

SCHEMBL11269695

CCCCCCCCCCCCCCCCCC(=O)OCC(COC(C)=O)OC(=O)c1cc(Br)c(N)c(CN(CC)C2CCCCC2)c1.COc1ccc2c(c1)cc(C)n2C(=O)c1ccc(Cl)cc1

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.40
▸ AKR1C2 P52895 1/20 0.40
▸ PTGS2 P35354 16/20 0.37

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
SCHEMBL11267082 0.94 AKR1C3 (0.46) AKR1C3AKR1C2PTGS2
SCHEMBL11261705 0.91 AKR1C3 (0.44) AKR1C3AKR1C2PTGS2
SCHEMBL11264116 0.88 AKR1C3 (0.46) AKR1C3AKR1C2PTGS2
SCHEMBL11184898 0.88 PTGS2 (0.53) AKR1C3PTGS2
SCHEMBL11261874 0.87 AKR1C3 (0.44) AKR1C3AKR1C2PTGS2
SCHEMBL11256753 0.87 AKR1C3 (0.46) AKR1C3AKR1C2PTGS2
SCHEMBL11261774 0.86 AKR1C3 (0.43) AKR1C3AKR1C2PTGS2
SCHEMBL11255825 0.86 AKR1C3 (0.47) AKR1C3AKR1C2PTGS2
SCHEMBL11252758 0.86 AKR1C3 (0.47) AKR1C3AKR1C2PTGS2
SCHEMBL11264977 0.86 AKR1C3 (0.48) AKR1C3AKR1C2PTGS2

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
US-4362738-A ANTIINFLAMMATORIES DR. KARL THOMAE GMBH (DE) 1982-12-07 — — US disclosed
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