SCHEMBL809961

SCHEMBL809961

C=Cc1ccc(CCBr)cc1OC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.49
▸ CFD P00746 2/20 0.43
▸ CYP4F2 P78329 1/20 0.43
▸ CYP4A11 Q02928 1/20 0.43
▸ ALOX5 P09917 2/20 0.40
▸ AKT1 P31749 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.39
▸ LTA4H P09960 2/20 0.39
▸ PTGS2 P35354 4/20 0.38
▸ CCR5 P51681 4/20 0.37
▸ THRB P10828 1/20 0.35

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
SCHEMBL810049 0.88 PTGS1 (0.51) PTGS1CFDCYP4F2CYP4A11ALOX5
SCHEMBL809884 0.85 AKT1 (0.56) PTGS1CFDCYP4F2CYP4A11ALOX5
SCHEMBL809941 0.83 AKT1 (0.47) PTGS1CFDCYP4F2CYP4A11ALOX5
SCHEMBL7658162 0.83 CFD (0.53) PTGS1CFDCYP4F2CYP4A11AKT1
SCHEMBL810128 0.82 PTGS1 (0.51) PTGS1CFDCYP4F2CYP4A11ALOX5
SCHEMBL809745 0.82 PTGS1 (0.51) PTGS1CFDCYP4F2CYP4A11ALOX5
SCHEMBL14763776 0.80 ALDH1A1 (0.46) PTGS1ALOX5
SCHEMBL27439820 0.79 PTGS1 (0.49) PTGS1CFDCYP4F2CYP4A11ALOX5
SCHEMBL27623501 0.78 CFD (0.59) PTGS1CFDCYP4F2CYP4A11AKT1
SCHEMBL3681025 0.76 KMT2A (0.47) PTGS1CFDCYP4F2CYP4A11ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012015977-A3 HIGHLY PORTABLE AND STABLE WORK STATION HERSCHLER MATTHEW B (US) 2012-05-10 — — WO disclosed
EP-2192645-B1 SEPARATION MEMBRANE FOR DIRECT LIQUID FUEL CELL AND METHOD FOR PRODUCING THE SAME TOKUYAMA CORP (JP) 2011-11-30 — — EP disclosed
US-20110250525-A1 SEPARATION MEMBRANE FOR DIRECT LIQUID FUEL CELL AND METHOD FOR PRODUCING THE SAME TOKUYAMA CORPORATION (JP) 2011-10-13 — — US disclosed
EP-2192645-A1 SEPARATION MEMBRANE FOR DIRECT LIQUID FUEL CELL AND METHOD FOR PRODUCING THE SAME Tokuyama Corporation (JP) 2010-06-02 — — EP disclosed
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