SCHEMBL8534631

SCHEMBL8534631

Cc1c(-c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)n(O)c2ccccc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
ACP1 P24666 1/20 0.39
PTPN1 P18031 1/20 0.38
SERPINE1 P05121 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MAPT P10636 1/20 0.37
MAT2A P31153 1/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
SCN9A Q15858 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GRIK2 Q13002 1/20 0.35
CISD1 Q9NZ45 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
SCHEMBL8535025 0.90 ESR1 (0.39) PPARGACP1SERPINE1TP53
SCHEMBL30866008 0.80 ALDH1A1 (0.41) PPARGPPARAMAPTTP53KDM4E
SCHEMBL29240184 0.80 ALDH1A1 (0.41) PPARGPPARAMAPTTP53KDM4E
SCHEMBL8534985 0.76 MAPK8 (0.40) PPARGSERPINE1
SCHEMBL8533470 0.72 MAT2A (0.54) ACP1SERPINE1MAPTMAT2AKDM4E
SCHEMBL29505903 0.72 MAT2A (0.54) ACP1SERPINE1MAPTMAT2AKDM4E
SCHEMBL30865984 0.72 SLC6A4 (0.41) PPARGPPARA
SCHEMBL29240181 0.72 SLC6A4 (0.41) PPARGPPARA
SCHEMBL29240193 0.70 MAOB (0.51) SERPINE1MAPTTP53
SCHEMBL30865993 0.70 MAOB (0.51) SERPINE1MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012069856-A1 ANTIMALARIAL COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2012-05-31 WO claimed
WO-2012069856-A1 ANTIMALARIAL COMPOUNDS LIVERPOOL SCHOOL OF TROPICAL MEDICINE (GB) 2012-05-31 WO disclosed