SCHEMBL10524728

SCHEMBL10524728

C=CC(=O)OCCC[SiH2]OC(C)(c1ccccc1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.46
TSHR P16473 6/20 0.42
HPGD P15428 1/20 0.42
ALDH1A1 P00352 7/20 0.41
CYP3A4 P08684 3/20 0.41
GAA P10253 1/20 0.35
HIF1A Q16665 3/20 0.35
TP53 P04637 2/20 0.35
HSD17B10 Q99714 1/20 0.35
HTT P42858 1/20 0.35
CHRM2 P08172 3/20 0.33
CHRM4 P08173 3/20 0.33
CHRM1 P11229 3/20 0.33
CHRM3 P20309 3/20 0.33
CHRM5 P08912 1/20 0.33
KDM4E B2RXH2 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP2C19 P33261 2/20 0.33
CYP2C9 P11712 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL10526529 0.86 HCAR2 (0.36) ALDH1A1CHRM2CHRM4CHRM1CHRM3
SCHEMBL1681889 0.79 TSHR (0.53) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL17320929 0.77 THRB (0.51) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL28846555 0.77 THRB (0.59) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL704182 0.77 MAPK1 (0.40) ALDH1A1CYP3A4HIF1ACHRM2CHRM1
SCHEMBL16491624 0.75 THRB (0.47) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL7880365 0.75 TSHR (0.53) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL3953735 0.75 TSHR (0.49) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL27993968 0.75 THRB (0.49) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL15405613 0.74 THRB (0.48) THRBTSHRHPGDALDH1A1CYP3A4

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-4886852-A PREPARING NONAQUEOUS DISPERSION IN ORGANIC SOLVENT, THEN NEUTRALIZATION KANSAI PAINT COMPANY, LIMITED (JP) 1989-12-12 US claimed
US-4886852-A PREPARING NONAQUEOUS DISPERSION IN ORGANIC SOLVENT, THEN NEUTRALIZATION KANSAI PAINT COMPANY, LIMITED (JP) 1989-12-12 US disclosed