SCHEMBL8510420

SCHEMBL8510420

CCCOC(=O)C(C)=COC(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.36
ALOX15 P16050 1/20 0.35
LMNA P02545 4/20 0.35
TSHR P16473 4/20 0.34
CHRM1 P11229 3/20 0.33
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 0.33
CHRM5 P08912 2/20 0.33
CHRM3 P20309 2/20 0.33
ALDH1A1 P00352 4/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPK1 P28482 1/20 0.32
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32
HSD17B10 Q99714 1/20 0.32
POLB P06746 1/20 0.31
HTR1A P08908 1/20 0.31
CHRNB2 P17787 1/20 0.31
CYP2C19 P33261 1/20 0.31
CHRNA7 P36544 1/20 0.31

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
SCHEMBL11297581 0.85 ALOX15 (0.48) HCAR2ALOX15LMNATSHRALDH1A1
SCHEMBL28193229 0.81 HCAR2 (0.48) HCAR2LMNATSHRALDH1A1SMN1; SMN2
SCHEMBL15452855 0.81 HCAR2 (0.38) HCAR2LMNATSHRCHRM1ALDH1A1
SCHEMBL28457904 0.80 TSHR (0.49) HCAR2LMNATSHRALDH1A1SMN1; SMN2
SCHEMBL9248652 0.79 TSHR (0.46) HCAR2TSHRALDH1A1SMN1; SMN2MAPK1
SCHEMBL2208079 0.79 GAA (0.38) HCAR2TSHRALDH1A1SMN1; SMN2GAA
SCHEMBL871016 0.79 TSHR (0.40) HCAR2LMNATSHRALDH1A1SMN1; SMN2
SCHEMBL3179618 0.79 HCAR2 (0.38) HCAR2LMNATSHRALDH1A1SMN1; SMN2
SCHEMBL11646015 0.79 HCAR2 (0.39) HCAR2LMNATSHRCHRM1ALDH1A1
SCHEMBL6138156 0.79 HCAR2 (0.39) HCAR2LMNATSHRCHRM1ALDH1A1

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-5989642-A Method for preparing color-clear composite coatings having resistance to acid etching PPG INDUSTRIES OHIO, INC. (US) 1999-11-23 US claimed