SCHEMBL21784949

SCHEMBL21784949

CCOc1ccc(C(OC)(OC)C(=O)c2ccc(O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.50
MAOB P27338 1/20 0.50
ABCG2 Q9UNQ0 1/20 0.50
CES1 P23141 1/20 0.50
PLK1 P53350 1/20 0.49
PARP10 Q53GL7 1/20 0.47
KDM4E B2RXH2 3/20 0.46
MAPT P10636 2/20 0.46
ALOX15 P16050 2/20 0.46
NPC1 O15118 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
RECQL P46063 1/20 0.46
HSD17B10 Q99714 1/20 0.46
CYP1A2 P05177 1/20 0.46
RAB9A P51151 1/20 0.46
EPHX2 P34913 1/20 0.45
NR1H4 Q96RI1 1/20 0.45
NPSR1 Q6W5P4 1/20 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
SCHEMBL13268944 0.86 CES1 (0.65) CES1KDM4EMAPTALDH1A1HPGD
SCHEMBL18755302 0.82 CES1 (0.43) CES1PLK1PARP10KDM4EMAPT
SCHEMBL9475726 0.80 PLK1 (0.51) PLK1PARP10KDM4EMAPTNPC1
SCHEMBL6463051 0.79 CES1 (0.53) CES1PLK1MAPTNPC1ALDH1A1
SCHEMBL10299599 0.79 SMN1; SMN2 (0.59) CES1MAPTALOX15NPC1ALDH1A1
SCHEMBL9630435 0.79 CES1 (0.80) MAOBCES1KDM4EMAPTALDH1A1
SCHEMBL10299624 0.78 CES1 (0.51) CES1MAPTNPC1ALDH1A1CYP1A2
SCHEMBL10299600 0.78 CES1 (0.62) CES1PLK1PARP10MAPTALOX15
SCHEMBL18790835 0.77 CES1 (0.50) MAOBCES1PLK1PARP10MAPT
SCHEMBL18790719 0.77 NPC1 (0.51) CES1KDM4EMAPTNPC1ALDH1A1

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-20200071617-A1 LIQUID CRYSTAL DISPLAY ELEMENT DIC CORPORATION (JP) 2020-03-05 US disclosed