SCHEMBL28852005

SCHEMBL28852005

C=C(C)C(=O)OC(=O)C(C(=O)CC)C(=O)CC

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.45
THRB P10828 1/20 0.42
ALDH1A1 P00352 5/20 0.39
HSD17B10 Q99714 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
LMNA P02545 1/20 0.31
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
SOAT1 P35610 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
SCHEMBL288537 0.76 MGAM (0.44) TSHRALDH1A1MGAMGAASI
SCHEMBL27604014 0.73 TSHR (0.44) TSHRTHRBALDH1A1HSD17B10TDP1
SCHEMBL8679475 0.73 NAAA (0.37) ALDH1A1HSD17B10TDP1LMNAMGAM
SCHEMBL3647936 0.73 TSHR (0.52) TSHRTHRBALDH1A1HSD17B10TDP1
Butane SCHEMBL28211499 0.72 ALDH1A1 (0.50) TSHRTHRBALDH1A1HSD17B10TDP1
Alcohol SCHEMBL11226174 0.72 ALDH1A1 (0.50) TSHRTHRBALDH1A1HSD17B10TDP1
SCHEMBL29199608 0.72 TSHR (0.43) TSHRTHRBALDH1A1TDP1
SCHEMBL6072620 0.71 TSHR (0.50) TSHRTHRBALDH1A1HSD17B10TDP1
SCHEMBL15963 0.71 ALDH1A1 (0.61) TSHRTHRBALDH1A1HSD17B10TDP1
SCHEMBL28170047 0.71 ALDH1A1 (0.61) TSHRTHRBALDH1A1HSD17B10TDP1

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
CN-115124669-A Preparation method and application of linear block copolymer nano-carrier with double-carrier genes and medicines 北京化工大学 2022-09-30 CN claimed