SCHEMBL6258750

SCHEMBL6258750

COc1c(C(=O)c2ccccc2)c(=O)oc2ccccc12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.74
CA9 Q16790 3/20 0.74
MAPT P10636 3/20 0.56
CYP2C9 P11712 6/20 0.54
CYP2C19 P33261 3/20 0.51
HSD17B10 Q99714 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
MEN1 O00255 1/20 0.48
TP53 P04637 1/20 0.48
CYP3A4 P08684 1/20 0.48
PKM P14618 1/20 0.48
ALOX12 P18054 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
KMT2A Q03164 1/20 0.48
POLB P06746 2/20 0.47

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
SCHEMBL31344358 1.00 CA12 (0.74) CA12CA9MAPTCYP2C9CYP2C19
SCHEMBL21835011 0.92 CA12 (0.80) CA12CA9MAPTCYP2C9CYP2C19
SCHEMBL24864831 0.88 CA12 (0.62) CA12CA9MAPTCYP2C9CYP2C19
SCHEMBL454618 0.88 CA12 (0.78) CA12CA9MAPTCYP2C9HSD17B10
SCHEMBL28250973 0.82 MAPT (0.60) CA12CA9MAPTCYP2C9CYP2C19
SCHEMBL31344356 0.82 CA12 (0.50) CA12CA9MAPTHSD17B10L3MBTL1
SCHEMBL5562068 0.81 MAPT (0.58) CA12CA9MAPTCYP2C9CYP2C19
SCHEMBL30383399 0.79 ALDH1A1 (0.71) CA12CA9MAPTCYP2C9CYP2C19
SCHEMBL10613511 0.78 CA12 (0.69) CA12CA9MAPTCYP2C9CYP2C19
SCHEMBL831768 0.77 CA12 (0.66) CA12CA9MAPTCYP2C9CYP2C19

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
WO-2005078776-A1 PATTERN FORMING PROCESS FUJI PHOTO FILM CO., LTD. (JP) 2005-08-25 WO disclosed