SCHEMBL784098

SCHEMBL784098

CCCOC(OCCC)OC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
ALDH1A1 P00352 3/20 0.39
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
LMNA P02545 2/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
GALR3 O60755 1/20 0.34
MAPT P10636 1/20 0.34
BLM P54132 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
PRKCA P17252 2/20 0.33
ALOX15 P16050 1/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
HRH1 P35367 1/20 0.31
KMT2A Q03164 1/20 0.31
CES2 O00748 1/20 0.30

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
SCHEMBL31037010 0.82 TSHR (0.46) TSHRALDH1A1CHRM2CHRM4CHRM1
SCHEMBL662137 0.80 THRB (0.50) TSHRALDH1A1CHRM2CHRM4CHRM1
SCHEMBL2479739 0.79 TSHR (0.44) TSHRALDH1A1CHRM2CHRM4CHRM1
SCHEMBL783931 0.79 NAAA (0.39) ALDH1A1LMNAMAPTTDP1MEN1
SCHEMBL12950160 0.79 TSHR (0.44) TSHRALDH1A1CHRM2CHRM4CHRM1
SCHEMBL16010691 0.77 TSHR (0.42) TSHRALDH1A1CHRM2CHRM4CHRM1
SCHEMBL2253998 0.77 TSHR (0.37) TSHRALDH1A1CHRM2CHRM4CHRM1
SCHEMBL783655 0.77 ALDH1A1 (0.46) TSHRALDH1A1LMNAMAPTPRKCA
SCHEMBL6438668 0.77 MGAM (0.41)
SCHEMBL783724 0.76 CES2 (0.32) TSHRALDH1A1CES2HCAR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120070730-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS ELECTROLYTE BATTERY SONY CORPORATION (JP) 2012-03-22 US disclosed
US-20120070730-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS ELECTROLYTE BATTERY SONY CORPORATION (JP) 2012-03-22 US disclosed