SCHEMBL7600490

SCHEMBL7600490

Cc1cc(OCCOC(C)C)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.45
PDIA6 Q15084 1/20 0.41
ESR1 P03372 4/20 0.39
ESR2 Q92731 2/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 2/20 0.38
CARM1 Q86X55 1/20 0.38
TP53 P04637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTT P42858 1/20 0.38
THRA P10827 4/20 0.38
THRB P10828 4/20 0.38
ADRB1 P08588 1/20 0.37
AR P10275 1/20 0.37

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
SCHEMBL1893836 0.82 ADRB2 (0.44) ADRB2NPC1POLBRAB9ACTDSP1
SCHEMBL25797827 0.80 PDIA6 (0.54) ADRB2PDIA6ESR1ESR2POLB
SCHEMBL25797832 0.80 PDIA6 (0.54) ADRB2PDIA6ESR1ESR2POLB
SCHEMBL92209 0.79 NR1I2 (0.46) ADRB2PDIA6ESR1ESR2POLB
SCHEMBL3720136 0.79 PTGS1 (0.53) PDIA6ESR1ESR2TP53TDP1
SCHEMBL10801503 0.79 ESR1 (0.56) ADRB2PDIA6ESR1ESR2NPC1
SCHEMBL13518445 0.78 NCF1 (0.48) ADRB2PDIA6ESR1ESR2KDM4E
SCHEMBL4608319 0.77 PDIA6 (0.44) ADRB2PDIA6ESR1ESR2NPC1
SCHEMBL3720155 0.77 ADRB2 (0.46) ADRB2ESR1ESR2POLBL3MBTL1
SCHEMBL326941 0.77 LTA4H (0.53) ADRB2ESR1ESR2HPGDADRB1

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
EP-0930307-B1 PROCESS FOR THE PREPARATION OF GLYCIDYL ETHERS DAISO CO LTD (JP) 2002-12-04 EP claimed