SCHEMBL9763728

SCHEMBL9763728

C=CC(=O)OCCC[Si](C)(C)O[Si](C)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.48
TSHR P16473 7/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP3A4 P08684 1/20 0.44
TDP1 Q9NUW8 2/20 0.37
TP53 P04637 2/20 0.37
HIF1A Q16665 2/20 0.37
HSD17B10 Q99714 1/20 0.37
THRA P10827 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
AKR1B10 O60218 1/20 0.33
AKR1B1 P15121 1/20 0.33
TGM2 P21980 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL17061425 0.91 THRB (0.47) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL10661691 0.91 THRB (0.47) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL17061427 0.91 THRB (0.47) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL10622893 0.88 THRB (0.45) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL9763982 0.88 THRB (0.45) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL10657434 0.86 THRB (0.43) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL9764056 0.85 HCAR2 (0.38) ALDH1A1TDP1MAPTAKR1B10AKR1B1
SCHEMBL16788735 0.85 THRB (0.42) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL4661264 0.85 THRB (0.51) THRBTSHRHPGDALDH1A1CYP3A4
SCHEMBL25755694 0.84 THRB (0.41) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4988788-A Room temperature-curable coating composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 1991-01-29 US claimed