SCHEMBL1357657

SCHEMBL1357657

C=CC(=O)OCCC1(c2ccccc2)COC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.49
TSHR P16473 7/20 0.38
ALDH1A1 P00352 4/20 0.38
CYP3A4 P08684 3/20 0.38
TP53 P04637 2/20 0.38
HIF1A Q16665 2/20 0.38
HSD17B10 Q99714 1/20 0.38
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
HPGD P15428 1/20 0.35
LMNA P02545 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL1357135 0.87 THRB (0.45) THRBTSHRALDH1A1CYP3A4TP53
SCHEMBL1357847 0.80 GAA (0.40) THRBTSHRALDH1A1CYP3A4GAA
SCHEMBL1357280 0.77 THRB (0.48) THRBTSHRALDH1A1CYP3A4TP53
SCHEMBL28226362 0.71 THRB (0.44) THRBTSHRALDH1A1CYP3A4TP53
SCHEMBL2132862 0.71 TSHR (0.46) THRBTSHRALDH1A1CYP3A4TP53
SCHEMBL1357941 0.70 THRB (0.43) THRBTSHRALDH1A1CYP3A4GAA
SCHEMBL5031526 0.70 MAOA (0.41)
SCHEMBL3380377 0.70 ACSS2 (0.43) TSHRCYP2D6HTTSMN1; SMN2
SCHEMBL25249338 0.70 KEAP1 (0.38) TSHRALDH1A1L3MBTL1LMNAKMT2A
SCHEMBL28357984 0.69 THRB (0.43) THRBALDH1A1GAAL3MBTL1LMNA

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-20110281040-A1 LIQUID CRYSTAL DISPLAY ELEMENT, POSITIVE TYPE RADIATION SENSITIVE COMPOSITION, INTERLAYER INSULATING FILM FOR LIQUID CRYSTAL DISPLAY ELEMENT, AND FORMATION METHOD THEREOF JSR CORPORATION (JP) 2011-11-17 US disclosed