SCHEMBL9843556

SCHEMBL9843556

COc1cc(C)c2c(c1O)Cc1c(C)cc(OC)c(O)c1Cc1c(C)cc(OC)c(O)c1C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.39
LMNA P02545 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA3 P07451 1/20 0.39
PKM P14618 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
ALOX5 P09917 1/20 0.39
ERN1 O75460 1/20 0.39
MAPT P10636 4/20 0.38
GAA P10253 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 4/20 0.38

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
SCHEMBL8582564 0.76 ALOX5 (0.40) PTGS2LMNACA12CA1CA2
SCHEMBL7773969 0.72 HMGCR (0.56) PTGS2ALOX5CYP3A4TNKS2
SCHEMBL15691047 0.71 CYP3A4 (0.47) PTGS2LMNACA12CA1CA2
SCHEMBL1808984 0.70 EPHX2 (0.49) PTGS2LMNACA12CA1CA2
SCHEMBL3678118 0.70 MAPT (0.48) PTGS2LMNACA12CA1CA2
SCHEMBL684134 0.70 MAPT (0.48) PTGS2LMNACA12CA1CA2
SCHEMBL850210 0.69 MAPT (0.37) PTGS2LMNACA12CA1CA2
SCHEMBL27984936 0.69 ALOX5 (0.47) PTGS2LMNACA12CA1CA2
SCHEMBL3125408 0.68 PTGS2 (0.50) PTGS2LMNACA12CA1CA2
SCHEMBL2115984 0.68 CYP3A4 (0.46) PTGS2LMNACA12CA1CA2

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-0445819-A2 Positive type photoresist composition FUJI PHOTO FILM CO., LTD. (JP) 1991-09-11 EP disclosed