SCHEMBL8464629

SCHEMBL8464629

COc1cc(C)c(C(=O)c2c(C)cccc2OC)c(OC)c1OC.COc1cccc(C)c1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
KCNB1 Q14721 2/20 0.44
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPT P10636 1/20 0.42
GFER P55789 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KRAS P01116 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
TAS1R2 Q8TE23 1/20 0.41

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
SCHEMBL6740389 0.94 KCNB1 (0.47) CA12CA1CA2CA7CA9
SCHEMBL7519964 0.89 KRAS (0.47) CA12CA1CA2CA7CA9
SCHEMBL6859660 0.85 PTPN1 (0.49) KCNB1HPGDPOLBMAPTKRAS
SCHEMBL6852540 0.83 CYP19A1 (0.51) CA12CA1CA2CA7CA9
SCHEMBL426616 0.82 CA12 (0.77) CA12CA1CA2CA7CA9
SCHEMBL6742658 0.82 KCNB1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL27813524 0.82 ACHE (0.45) CA1CA2HPGDMEN1POLB
SCHEMBL7110651 0.82 ELANE (0.43) CA12CA1CA2CA7CA9
SCHEMBL7522504 0.81 KCNB1 (0.42) KCNB1MEN1MAPTKMT2ATAS1R3
SCHEMBL677571 0.81 HPGD (0.54) CA12CA1CA2CA7CA9

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-0897904-A1 Fungicidal 2-methoxybenzophenones American Cyanamid Company (US) 1999-02-24 EP disclosed