SCHEMBL8490337

SCHEMBL8490337

C/C(=C\c1ccc(S(C)(=O)=O)cc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 11/20 0.65
PTGS2 P35354 7/20 0.61
AKR1C2 P52895 3/20 0.61
AKR1C1 Q04828 3/20 0.61

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
SCHEMBL4803009 1.00 AKR1C3 (0.65) AKR1C3PTGS2AKR1C2AKR1C1
SCHEMBL27792566 0.85 AKR1C3 (0.60) AKR1C3PTGS2AKR1C2AKR1C1
SCHEMBL2462983 0.84 AKR1C3 (0.82) AKR1C3
SCHEMBL2462984 0.84 AKR1C3 (0.82) AKR1C3
SCHEMBL396732 0.84 AKR1C3 (0.58) AKR1C3PTGS2AKR1C2AKR1C1
SCHEMBL9347806 0.84 AKR1C3 (0.58) AKR1C3PTGS2AKR1C2AKR1C1
SCHEMBL396731 0.84 AKR1C3 (0.58) AKR1C3PTGS2AKR1C2AKR1C1
SCHEMBL4801310 0.82 AKR1C3 (0.67) AKR1C3PTGS2AKR1C2AKR1C1
SCHEMBL397778 0.81 AKR1C3 (0.55) AKR1C3PTGS2AKR1C2AKR1C1
SCHEMBL397777 0.81 AKR1C3 (0.55) 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
US-5976527-A High surface area support having bound latex particles containing oxirane groups for immobilization of substances SIOL, WERNER ROEHM GMBH CHEMISHE FABRIK (DE) 1999-11-02 US disclosed