SCHEMBL26412896

SCHEMBL26412896

CCC(C)OCCOCOC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
TSHR P16473 1/20 0.44
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ALOX15 P16050 1/20 0.32
THRB P10828 1/20 0.32
CHRM5 P08912 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
PGR P06401 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
HTR1A P08908 1/20 0.31
CHRNB2 P17787 1/20 0.31
TBXA2R P21731 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 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
SCHEMBL1450823 0.87 ALDH1A1 (0.55) ALDH1A1TSHRLMNAHSD17B10MEN1
SCHEMBL1476329 0.84 ALDH1A1 (0.50) ALDH1A1TSHRLMNAHSD17B10ALOX15
SCHEMBL12886639 0.83 THRB (0.50) ALDH1A1TSHRTHRB
SCHEMBL28914807 0.82 ALDH1A1 (0.48) ALDH1A1TSHRLMNAHSD17B10ALOX15
SCHEMBL9199559 0.82 ALDH1A1 (0.43) ALDH1A1TSHRLMNAHSD17B10MEN1
SCHEMBL2739895 0.82 ALDH1A1 (0.44) ALDH1A1TSHRLMNAHSD17B10MEN1
SCHEMBL3392872 0.79 ALDH1A1 (0.56) ALDH1A1TSHRLMNAHSD17B10MEN1
SCHEMBL16328104 0.77 ALDH1A1 (0.54) ALDH1A1TSHRLMNAHSD17B10ALOX15
SCHEMBL19821823 0.77 ALDH1A1 (0.54) ALDH1A1TSHRLMNAHSD17B10ALOX15
SCHEMBL2379880 0.77 ALDH1A1 (0.54) ALDH1A1TSHRLMNAHSD17B10ALOX15

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-20230129965-A1 HYDROPHILIC AND OLEOPHOBIC POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-04-27 US disclosed