SCHEMBL14775775

SCHEMBL14775775

O=C(O)OC1=Cc2cc(OC(F)(F)F)ccc2OC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 3/20 0.51
PTGS2 P35354 3/20 0.51
MTNR1A P48039 2/20 0.39
PIM1 P11309 1/20 0.39
ALOX5 P09917 12/20 0.38
ALOX12 P18054 2/20 0.38
MAOB P27338 1/20 0.37
SHMT2 P34897 1/20 0.37
NR1H4 Q96RI1 1/20 0.36

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
SCHEMBL1208429 0.82 PTGS1 (0.56) PTGS1PTGS2MTNR1APIM1ALOX5
SCHEMBL31560396 0.78 PTGS1 (0.49) PTGS1PTGS2MTNR1APIM1ALOX5
SCHEMBL14775704 0.77 MEN1 (0.51) PTGS1PTGS2MAOB
SCHEMBL14775630 0.77 ALOX5 (0.49) PTGS1PTGS2MTNR1AALOX5ALOX12
SCHEMBL7147930 0.73 PTGS2 (0.70) PTGS1PTGS2
SCHEMBL7150875 0.73 PTGS2 (0.70) PTGS1PTGS2
SCHEMBL7150887 0.73 ALOX5 (0.48) PTGS1PTGS2ALOX5MAOB
SCHEMBL10702114 0.72 ALOX5 (0.57) PTGS1PTGS2MTNR1AALOX5MAOB
SCHEMBL1211173 0.72 PTGS1 (0.42) PTGS1PTGS2MTNR1AALOX5MAOB
SCHEMBL2054544 0.72 PTGS1 (0.42) PTGS1PTGS2MTNR1AALOX5ALOX12

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
EP-2240467-B1 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME EVOTEC AG (DE) 2013-03-20 EP claimed