SCHEMBL3401232

SCHEMBL3401232

O=C(O)C1=CC=C(F)N(Cc2ccc(Oc3ccc(F)cc3)cc2)C1F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.43
MMP2 P08253 2/20 0.41
MMP1 P03956 1/20 0.41
MMP3 P08254 1/20 0.41
MMP9 P14780 1/20 0.41
MMP13 P45452 1/20 0.41
S1PR5 Q9H228 2/20 0.40
NR4A2 P43354 2/20 0.39
EPHX2 P34913 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
PTPN1 P18031 1/20 0.35
HTT P42858 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGER2 P43116 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
SCHEMBL7672121 0.68 MMP2 (0.48) LTA4HMMP2MMP1MMP3MMP9
SCHEMBL3500048 0.66 SRD5A2 (0.62) LTA4HNR4A2EPHX2HTT
SCHEMBL3037103 0.66 LTA4H (0.65) LTA4HMMP2MMP1MMP3MMP9
SCHEMBL3035567 0.65 LTA4H (0.64) LTA4HNR4A2HRH3
SCHEMBL24856527 0.64 MMP2 (0.44) MMP2MMP1MMP3MMP9MMP13
SCHEMBL7670021 0.64 MMP13 (0.59) MMP2MMP1MMP3MMP9MMP13
SCHEMBL3315939 0.63 BCL2L1 (0.65) NR4A2EPHX2HTTPTGER4PTGER2
SCHEMBL7672124 0.63 MMP13 (0.77) LTA4HMMP2MMP1MMP3MMP9
SCHEMBL6691597 0.63 MMP13 (0.77) LTA4HMMP2MMP1MMP3MMP9
SCHEMBL9269526 0.62 POLB (0.56) LTA4HNR4A2EPHX2HTT

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-2248423-A1 COMPOSITION FOR AGRICULTURAL USE FOR CONTROLLING OR PREVENTING PLANT DISEASES CAUSED BY PLANT PATHOGENS Sumitomo Chemical Company, Limited (JP) 2010-11-10 EP disclosed