SCHEMBL19821832

SCHEMBL19821832

CCC(C)(C)OC(=O)CCOC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CHRM5 P08912 2/20 0.36
CHRM1 P11229 2/20 0.36
CHRM3 P20309 2/20 0.36
PGR P06401 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
HTR1A P08908 1/20 0.36
CHRNB2 P17787 1/20 0.36
TBXA2R P21731 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA7 P36544 1/20 0.36
CHRNA4 P43681 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHRNA10 Q9GZZ6 1/20 0.36
CHRNA9 Q9UGM1 1/20 0.36

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
SCHEMBL19821831 0.89 ALDH1A1 (0.48) ALDH1A1TSHRLMNAHSD17B10CHRM5
SCHEMBL14369279 0.82 THRB (0.47) ALDH1A1TSHRTDP1
SCHEMBL7361097 0.82 ALDH1A1 (0.41) ALDH1A1TSHRLMNAHSD17B10CHRM5
SCHEMBL142215 0.81 TSHR (0.39) ALDH1A1TSHRGAATDP1
SCHEMBL18885533 0.80 DGKA (0.35) DGKA
SCHEMBL12332048 0.80 ALDH1A1 (0.41) ALDH1A1TSHRLMNAHSD17B10CHRM5
SCHEMBL19821845 0.80 TSHR (0.37) ALDH1A1TSHRTDP1
SCHEMBL28716822 0.80 ALDH1A1 (0.32) ALDH1A1TSHRTDP1
SCHEMBL14369282 0.79 THRB (0.49) ALDH1A1TSHRHSD17B10SMN1; SMN2
SCHEMBL10267541 0.78 ALDH1A1 (0.35) ALDH1A1TSHRLMNAHSD17B10CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11773266-B2 Polymer, molded body, foam, resin composition, and production method for polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-10-03 US disclosed
US-20230129965-A1 HYDROPHILIC AND OLEOPHOBIC POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-04-27 US disclosed
US-20180030175-A1 POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-02-01 US disclosed