SCHEMBL16425293

SCHEMBL16425293

C=C(C)C(=O)OCOc1ccc(C(=C)C(=O)Oc2ccc(C(c3ccc(OC(=O)C(=C)c4ccc(OCOC(=O)C(=C)C)cc4C)cc3)(C(F)(F)F)C(F)(F)F)cc2)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 8/20 0.39
PPARD Q03181 4/20 0.36
ELANE P08246 1/20 0.34
HTT P42858 2/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31
MAPK1 P28482 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
MAOB P27338 1/20 0.30
PPARA Q07869 1/20 0.30

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
SCHEMBL11986087 0.91 GSTP1 (0.40) GSTP1PPARDELANEHTTPOLB
SCHEMBL13932673 0.83 PPARD (0.35) GSTP1PPARDHTTPOLBAPEX1
SCHEMBL11986129 0.82 MAOB (0.37) GSTP1HTTPOLBAPEX1TDP1
SCHEMBL16425292 0.82 POLB (0.41) GSTP1ELANEHTTPOLBAPEX1
SCHEMBL11986103 0.81 PPARD (0.39) GSTP1PPARDHTTPOLBAPEX1
SCHEMBL11986116 0.81 FFAR1 (0.38) GSTP1PPARDHTTPOLBAPEX1
SCHEMBL11986086 0.81 GSTP1 (0.36) GSTP1PPARDHTTPOLBAPEX1
SCHEMBL11986133 0.81 TDP1 (0.43) ELANEHTTPOLBAPEX1TDP1
SCHEMBL13932766 0.81 L3MBTL1 (0.35) GSTP1PPARDTDP1LMNAMAPT
SCHEMBL17720308 0.77 POLB (0.43) HTTPOLBAPEX1TDP1LMNA

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
US-20150029446-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION AND OPTICAL ANISOTROPIC FILM JNC PETROCHEMICAL CORPORATION (JP) 2015-01-29 US disclosed