SCHEMBL12536617

SCHEMBL12536617

N#Cc1ccc(OC(=O)c2ccc(CO)c(CO)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
F2 P00734 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
HIF1A Q16665 1/20 0.44
PARP15 Q460N3 1/20 0.44
PARP10 Q53GL7 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
POLB P06746 1/20 0.44
TP53 P04637 3/20 0.42
LMNA P02545 1/20 0.42
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
RAB9A P51151 1/20 0.41
MGLL Q99685 1/20 0.41
THRB P10828 1/20 0.41
PRSS1 P07477 1/20 0.41
ACR P10323 1/20 0.41
GSK3B P49841 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
SCHEMBL12536606 0.86 F2 (0.45) MAPTALDH1A1F2CYP1A2CYP2D6
SCHEMBL12634334 0.85 THRB (0.45) MAPTALDH1A1F2CYP1A2CYP2D6
SCHEMBL29038955 0.81 ALDH1A1 (0.58) MAPTALDH1A1F2CYP1A2CYP2D6
SCHEMBL8496209 0.81 ALDH1A1 (0.58) MAPTALDH1A1F2CYP1A2CYP2D6
SCHEMBL9975757 0.81 F2 (0.55) MAPTALDH1A1F2CYP1A2CYP2D6
SCHEMBL12536645 0.79 F2 (0.50) MAPTALDH1A1F2CYP1A2CYP2D6
SCHEMBL11125066 0.77 MAPT (0.55) MAPTALDH1A1F2CYP1A2CYP2D6
SCHEMBL12536609 0.77 THRB (0.46) MAPTALDH1A1F2POLBTP53
SCHEMBL16848589 0.76 F2 (0.56) MAPTALDH1A1F2CYP1A2CYP2D6
SCHEMBL5893111 0.76 MGLL (0.49) MAPTALDH1A1F2CYP1A2CYP2D6

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-20110128478-A1 POLARIZING PLATE, LIQUID CRYSTAL DISPLAY, AND METHOD OF MANUFACTURING PROTECTIVE FILM FOR POLARIZING PLATE KONICA MINOLTA OPTO, INC. (JP) 2011-06-02 US disclosed