SCHEMBL8587223

SCHEMBL8587223

CCCCCCCCCC(=O)Oc1ccc(C(=O)Oc2ccc(C(=O)OCC(F)(F)F)c(F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
SLC22A2 O15244 1/20 0.42
TMPRSS2 O15393 1/20 0.42
F2 P00734 1/20 0.42
F10 P00742 1/20 0.42
PLG P00747 1/20 0.42
F12 P00748 1/20 0.42
PLAU P00749 1/20 0.42
PLAT P00750 1/20 0.42
KLKB1 P03952 1/20 0.42
HPN P05981 1/20 0.42
CHRM2 P08172 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
SLC47A2 Q86VL8 1/20 0.42

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
SCHEMBL8201150 0.89 MAPT (0.51) KMT2ASMN1; SMN2MEN1CYP1A2CYP2D6
SCHEMBL8190500 0.89 MAPT (0.51) KMT2ASMN1; SMN2MEN1CYP1A2CYP2D6
SCHEMBL8201026 0.89 MAPT (0.51) KMT2ASMN1; SMN2MEN1CYP1A2CYP2D6
SCHEMBL8200469 0.89 KMT2A (0.46) KMT2ASMN1; SMN2MEN1CYP1A2CYP2D6
SCHEMBL8216532 0.85 MAPT (0.51) KMT2ASMN1; SMN2MEN1CYP1A2CYP2D6
SCHEMBL8190514 0.85 MAPT (0.51) KMT2ASMN1; SMN2MEN1CYP1A2CYP2D6
SCHEMBL6933189 0.84 KMT2A (0.42) KMT2ASMN1; SMN2MEN1CYP1A2CYP2D6
SCHEMBL6936897 0.83 KMT2A (0.42) KMT2ASMN1; SMN2MEN1CYP1A2CYP2D6
SCHEMBL6940301 0.83 KMT2A (0.41) KMT2ASMN1; SMN2MEN1CYP1A2CYP2D6
SCHEMBL9128479 0.83 KMT2A (0.39) KMT2ASMN1; SMN2MEN1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-10245363-A None JP disclosed
WO-1999035132-A1 HETEROCYCLIC COMPOUNDS GLAXO GROUP LIMITED (GB) 1999-07-15 WO disclosed
JP-H10245363-A PHENYL ESTER AND FERRIDIELECTRIC LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME MITSUBISHI GAS CHEM CO INC 1998-09-14 JP disclosed