SCHEMBL11068065

SCHEMBL11068065

C=C(C)C(=O)OCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)O[Si](CCCOC(C)=O)(O[Si](C)(C)C)O[Si](C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
THRB P10828 1/20 0.40
ALDH1A1 P00352 3/20 0.38
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CHRM5 P08912 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
PGR P06401 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
HTR1A P08908 1/20 0.30
CHRNB2 P17787 1/20 0.30
TBXA2R P21731 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 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
SCHEMBL333002 0.95 TSHR (0.50) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL35807 0.94 TSHR (0.51) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL10793668 0.93 TSHR (0.43) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL9576597 0.93 TSHR (0.43) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL11075328 0.90 TSHR (0.45) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL11075198 0.90 TSHR (0.45) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL9418354 0.89 TSHR (0.47) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL2369533 0.89 TSHR (0.47) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL11312974 0.89 TSHR (0.47) TSHRTHRBALDH1A1POLBAPEX1
SCHEMBL11312944 0.89 TSHR (0.47) TSHRTHRBALDH1A1POLBAPEX1

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-4463149-A UNSATURATED POLYSILOXANES POLYMER TECHNOLOGY CORPORATION (US) 1984-07-31 US claimed
US-4463149-A UNSATURATED POLYSILOXANES POLYMER TECHNOLOGY CORPORATION (US) 1984-07-31 US disclosed