SCHEMBL7645374

SCHEMBL7645374

CCOC(C)OC=Cc1ccc(C=Cc2ccc(O)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.44
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA7 P43166 4/20 0.44
CA9 Q16790 4/20 0.44
CA14 Q9ULX7 4/20 0.44
APP P05067 5/20 0.43
PTGS2 P35354 4/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 3/20 0.43
MAPT P10636 3/20 0.43
KMT2A Q03164 3/20 0.43
MAOB P27338 3/20 0.43
TTR P02766 3/20 0.43
CYP1A1 P04798 3/20 0.43
ALOX5 P09917 3/20 0.43
CYP1B1 Q16678 3/20 0.43
CA3 P07451 2/20 0.43
CA4 P22748 2/20 0.43
CA6 P23280 2/20 0.43

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
SCHEMBL1395549 0.81 RELA (0.44) KDM4EMEN1KMT2ALMNATP53
SCHEMBL7133262 0.81 MAPT (0.47) CA12CA1CA2CA7CA9
SCHEMBL6882874 0.81 APP (0.36) CA12CA1CA2CA7CA9
SCHEMBL6873848 0.79 APP (0.33) CA12CA1CA2CA7CA9
SCHEMBL3264447 0.75 APP (0.47) CA12CA1CA2CA7CA9
4-Hydroxybenzaldehyde SCHEMBL17941268 0.75 ALDH5A1 (0.57) CA12CA1CA2CA7CA9
SCHEMBL29266723 0.74 RELA (0.41) KDM4EMEN1KMT2AMAOBLMNA
SCHEMBL27914859 0.74 NQO2 (0.45) APPMAPTALDH1A1CYP1A2SMN1; SMN2
SCHEMBL27224304 0.72 PTGS2 (0.54) CA12CA1CA2CA7CA9
SCHEMBL27603148 0.72 RELA (0.43) PTGS2KDM4EMAOBALOX5ALDH1A1

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
US-6432608-B1 FINENESS PATTERN WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2002-08-13 US disclosed