SCHEMBL12536645

SCHEMBL12536645

N#Cc1ccc(OC(=O)c2cc(CO)cc(CO)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.50
POLB P06746 1/20 0.46
MAPT P10636 3/20 0.44
ALDH1A1 P00352 2/20 0.44
TP53 P04637 3/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
HIF1A Q16665 1/20 0.43
PARP15 Q460N3 1/20 0.43
PARP10 Q53GL7 1/20 0.43
PARP2 Q9UGN5 1/20 0.43
MGLL Q99685 2/20 0.43
RAB9A P51151 1/20 0.43
THRB P10828 1/20 0.42
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
MMP2 P08253 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL9975757 0.86 F2 (0.55) F2POLBMAPTALDH1A1CYP1A2
SCHEMBL12536606 0.82 F2 (0.45) F2POLBMAPTALDH1A1TP53
SCHEMBL13625760 0.80 HSD17B10 (0.44) F2MAPTLMNACYP1A2PARP10
SCHEMBL8496209 0.80 ALDH1A1 (0.58) F2POLBMAPTALDH1A1CYP1A2
SCHEMBL29038955 0.80 ALDH1A1 (0.58) F2POLBMAPTALDH1A1CYP1A2
SCHEMBL12536617 0.79 MAPT (0.46) F2POLBMAPTALDH1A1TP53
SCHEMBL9905853 0.79 THRB (0.46) F2POLBMAPTALDH1A1TP53
SCHEMBL9905843 0.79 THRB (0.46) F2POLBMAPTALDH1A1TP53
SCHEMBL9905977 0.78 THRB (0.56) F2POLBMAPTALDH1A1TP53
SCHEMBL16848589 0.78 F2 (0.56) F2POLBMAPTALDH1A1CYP1A2

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