SCHEMBL2224238

SCHEMBL2224238

COc1cc2c(cc1F)CC(C)=C2C(=Cc1ccc(S(C)(=O)=O)cc1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 11/20 0.47
▸ PTGS2 P35354 7/20 0.47
▸ AKR1C2 P52895 3/20 0.47
▸ AKR1C1 Q04828 3/20 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
SCHEMBL15571317 0.90 AKR1C3 (0.52) AKR1C3PTGS2AKR1C2AKR1C1
SCHEMBL15572316 0.85 AKR1C3 (0.58) AKR1C3PTGS2AKR1C2AKR1C1
SCHEMBL2219869 0.85 AKR1C3 (0.57) AKR1C3PTGS2AKR1C2AKR1C1
SCHEMBL2222865 0.84 AKR1C3 (0.47) AKR1C3PTGS2AKR1C2AKR1C1
SCHEMBL8796288 0.79 AKR1C3 (0.48) AKR1C3PTGS2AKR1C2AKR1C1
SCHEMBL8603397 0.76 AKR1C3 (0.47) AKR1C3PTGS2
SCHEMBL8521003 0.76 PTGS2 (0.45) AKR1C3PTGS2AKR1C2AKR1C1
SCHEMBL8430221 0.74 AKR1C3 (0.45) AKR1C3
SCHEMBL15572432 0.74 PTGS2 (0.34) AKR1C3PTGS2AKR1C2AKR1C1
SCHEMBL5138929 0.74 AKR1C3 (0.43) AKR1C3PTGS2AKR1C2AKR1C1

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
WO-2011088474-A2 SULINDAC AND SULINDAC DERIVATIVES AND THEIR USES RELATED TO INFECTION Zirus, Inc. (US) 2011-07-21 — — WO disclosed
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