SCHEMBL27462006

SCHEMBL27462006

C=C(C)C(=O)OCCO.CCOCCOC(C)=O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.77
ALDH1A1 P00352 7/20 0.63
TSHR P16473 6/20 0.63
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CHRM5 P08912 2/20 0.35
CHRM1 P11229 2/20 0.35
CHRM3 P20309 2/20 0.35
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GALR3 O60755 2/20 0.33
PGR P06401 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
HTR1A P08908 1/20 0.32
CHRNB2 P17787 1/20 0.32
TBXA2R P21731 1/20 0.32
CHRNB4 P30926 1/20 0.32

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
SCHEMBL28108209 0.95 THRB (0.85) THRBALDH1A1TSHRLMNAHSD17B10
Methacrylic Acid SCHEMBL4597347 0.89 THRB (0.74) THRBALDH1A1TSHRHSD17B10POLB
Ether SCHEMBL1324828 0.88 THRB (0.71) THRBALDH1A1TSHRLMNAHSD17B10
SCHEMBL1173194 0.88 ALDH1A1 (0.83) THRBALDH1A1TSHRLMNAHSD17B10
SCHEMBL36524 0.88 THRB (1.00) THRBALDH1A1TSHRLMNAHSD17B10
Ether SCHEMBL2009035 0.86 THRB (0.76) THRBALDH1A1TSHRHSD17B10POLB
Ether SCHEMBL2012348 0.86 THRB (0.76) THRBALDH1A1TSHRHSD17B10POLB
Ethyl Acetate SCHEMBL6229800 0.86 THRB (0.58) THRBALDH1A1TSHRLMNAHSD17B10
SCHEMBL8850982 0.86 THRB (0.96) THRBALDH1A1TSHRLMNAHSD17B10
SCHEMBL16504107 0.86 THRB (0.96) THRBALDH1A1TSHRLMNAHSD17B10

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
CN-1159156-A Orthopedic casting material MINNESOTA MINING & MFG (US) 1997-09-10 CN claimed