SCHEMBL6553372

SCHEMBL6553372

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.39
MAOB P27338 1/20 0.39
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
AKR1B10 O60218 1/20 0.35
AKR1B1 P15121 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
PTGS2 P35354 2/20 0.34
TTR P02766 1/20 0.34
CYP1A1 P04798 1/20 0.34
ALOX5 P09917 1/20 0.34
CYP1B1 Q16678 1/20 0.34
BCHE P06276 2/20 0.34
ACHE P22303 1/20 0.34
MAPT P10636 2/20 0.33

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
SCHEMBL3842067 0.87 LTB4R (0.41) ABCG2MAOBCA12CA1CA2
SCHEMBL7199294 0.87 LTB4R (0.41) ABCG2MAOBCA12CA1CA2
SCHEMBL3838358 0.87 CA12 (0.43) ABCG2MAOBCA12CA1CA2
SCHEMBL7270962 0.86 PTGS2 (0.40) ABCG2MAOBCA12CA1CA2
SCHEMBL7138148 0.86 MAOB (0.42) ABCG2MAOBCA12CA1CA2
SCHEMBL6842075 0.86 ABCG2 (0.39) ABCG2MAOBCA12CA1CA2
SCHEMBL6279818 0.83 CA12 (0.40) ABCG2MAOBCA12CA1CA2
SCHEMBL6280731 0.82 RELA (0.41) ABCG2MAOBCA12CA1CA2
SCHEMBL7103538 0.82 CA12 (0.38) ABCG2MAOBCA12CA1CA2
SCHEMBL5702546 0.82 CA12 (0.38) ABCG2MAOBCA12CA1CA2

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