SCHEMBL28061672

SCHEMBL28061672

COc1ccccc1[P](=O)C(=O)c1c(C)cccc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
ATM Q13315 1/20 0.41
POLB P06746 2/20 0.40
KCNK3 O14649 1/20 0.40
KMT2A Q03164 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.39

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
SCHEMBL710804 0.88 ABCB1 (0.44) CA12CA1CA2CA7CA9
SCHEMBL28107927 0.84 KCNK3 (0.43) POLBKCNK3KMT2AKCNK9ALDH1A1
SCHEMBL7177390 0.83 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL29053212 0.81 CA1 (0.40) CA12CA1CA2CA7CA9
SCHEMBL7180294 0.80 ALDH1A1 (0.43) ATMPOLBKCNK3KMT2AKCNK9
SCHEMBL7188326 0.79 KMT2A (0.36) CA12CA1CA2CA7CA9
SCHEMBL15238854 0.79 ABCB1 (0.39) CA12CA1CA2CA7CA9
SCHEMBL7188264 0.78 NPC1 (0.48) KMT2ACYP1A2CYP3A4CYP2C19ALDH1A1
SCHEMBL7180488 0.77 ABCB1 (0.43) CA12CA1CA2CA7CA9
SCHEMBL7736110 0.77 ALDH1A1 (0.43) ATMPOLBKCNK3KMT2AKCNK9

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
CN-105164216-B Inkjet ink composition, ink jet recording method, ink group, decoration sheet and molding, mould internal shaping product and its manufacture method 富士胶片株式会社 2017-09-22 CN disclosed
CN-105415883-A Inkjet Recording Method, And Printed Material FUJIFILM CORP 2016-03-23 CN disclosed