SCHEMBL809960

SCHEMBL809960

C=Cc1ccc(C(C)Br)cc1OC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.40
CFD P00746 2/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 1/20 0.37
ALOX5 P09917 2/20 0.35
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 3/20 0.34
RAB9A P51151 2/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
LMNA P02545 3/20 0.33
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.33
HPGD P15428 2/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
NFKB1 P19838 2/20 0.33
CCR3 P51677 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL809883 0.85 PTGS1 (0.40) PTGS1CFDCYP4F2CYP4A11ALOX5
SCHEMBL7658156 0.81 TSHR (0.51) PTGS1CFDCYP4F2CYP4A11KDM4E
SCHEMBL809940 0.80 PTGS1 (0.41) PTGS1CFDCYP4F2CYP4A11ALOX5
SCHEMBL27439820 0.77 PTGS1 (0.49) PTGS1CFDCYP4F2CYP4A11ALOX5
SCHEMBL3627110 0.76 KDM4E (0.56) PTGS1ALOX5KDM4EALDH1A1RAB9A
SCHEMBL3681025 0.76 KMT2A (0.47) PTGS1CFDCYP4F2CYP4A11ALOX5
SCHEMBL30785274 0.76 KDM4E (0.56) PTGS1ALOX5KDM4EALDH1A1RAB9A
SCHEMBL810049 0.76 PTGS1 (0.51) PTGS1CFDCYP4F2CYP4A11ALOX5
SCHEMBL19286377 0.75 TYR (0.41) ALDH1A1
SCHEMBL809961 0.73 PTGS1 (0.49) 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