SCHEMBL6554326

SCHEMBL6554326

C=C(C)C(=O)OC.CCOC(C)Oc1ccc(C=CC=Cc2ccc(OC(C)(C)C)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.34
FBP1 P09467 1/20 0.34
TAS1R3 Q7RTX0 5/20 0.33
TAS1R1 Q7RTX1 5/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
MAPT P10636 1/20 0.32
APP P05067 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
PTGS2 P35354 1/20 0.32
GSK3B P49841 1/20 0.32
LTB4R Q15722 1/20 0.31
LTB4R2 Q9NPC1 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
STAT3 P40763 1/20 0.31

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
SCHEMBL6550872 0.88 STAT3 (0.42) TAS1R3TAS1R1MAPTALDH1A1STAT3
SCHEMBL6555207 0.88 TAS1R3 (0.36) ACACBFBP1TAS1R3TAS1R1MAPT
SCHEMBL6554747 0.88 ELANE (0.37) TAS1R3TAS1R1HDAC8HDAC6MAPT
SCHEMBL6867017 0.85 FBP1 (0.34) FBP1TAS1R3TAS1R1MAPTBCHE
SCHEMBL3837576 0.83 STAT3 (0.37) APPBCHEACHEPTGS2STAT3
SCHEMBL7617965 0.82 TAS1R3 (0.39) TAS1R3TAS1R1MAPTBCHEACHE
SCHEMBL8517164 0.81 STAT3 (0.47) HDAC8HDAC6MAPTAPPPTGS2
SCHEMBL7271037 0.80 STAT3 (0.42) HDAC8HDAC6MAPTAPPPTGS2
SCHEMBL8530486 0.79 ABCG2 (0.45) TAS1R3TAS1R1MAPTALDH1A1STAT3
SCHEMBL4967554 0.78 BCHE (0.34) FBP1TAS1R3TAS1R1HDAC8HDAC6

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
EP-1059314-B1 A resist composition WAKO PURE CHEM IND LTD (JP) 2004-12-22 EP disclosed
EP-1059314-A1 A resist composition Wako Pure Chemical Industries, Ltd. (JP) 2000-12-13 EP disclosed