SCHEMBL7599491

SCHEMBL7599491

C=C(C)C(=O)OCCCc1ccc(N=Nc2ccccc2C(=O)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.41
PPARA Q07869 3/20 0.41
HTT P42858 2/20 0.39
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
IDE P14735 1/20 0.38
MYC P01106 1/20 0.38
ELANE P08246 1/20 0.38
L3MBTL1 Q9Y468 4/20 0.37
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
TP53 P04637 2/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPK1 P28482 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PPARD Q03181 2/20 0.35
NPSR1 Q6W5P4 2/20 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
SCHEMBL373404 0.87 PPARG (0.38) PPARGPPARAHTTPOLBAPEX1
SCHEMBL10431189 0.87 L3MBTL1 (0.44) PPARGPPARAHTTTDP1IDE
SCHEMBL373513 0.86 PPARG (0.39) PPARGPPARAHTTPOLBAPEX1
SCHEMBL27314178 0.85 PPARA (0.53) PPARGPPARAHTTPOLBAPEX1
SCHEMBL27314176 0.85 PPARA (0.53) PPARGPPARAHTTPOLBAPEX1
SCHEMBL27950628 0.82 ELANE (0.55) PPARGPPARAHTTPOLBAPEX1
SCHEMBL29212793 0.81 POLB (0.49) PPARGPPARAHTTPOLBAPEX1
SCHEMBL373648 0.81 L3MBTL1 (0.39) PPARGPPARAHTTELANEL3MBTL1
SCHEMBL16693261 0.81 L3MBTL1 (0.39) PPARGPPARAHTTELANEL3MBTL1
SCHEMBL373331 0.80 PPARG (0.38) PPARGPPARAHTTPOLBELANE

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-0913713-B1 Crosslinkable compound and an optical material employing it MENICON CO LTD (JP) 2002-12-18 EP disclosed