SCHEMBL28477302

SCHEMBL28477302

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.47
TSHR P16473 5/20 0.42
CES2 O00748 1/20 0.34
PLA2G2C Q5R387 3/20 0.33
ALDH1A1 P00352 1/20 0.33
EPHX2 P34913 4/20 0.33
PRKCA P17252 1/20 0.31
PRKCD Q05655 1/20 0.31
POLB P06746 1/20 0.31
APEX1 P27695 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CTSK P43235 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
SCHEMBL28484157 0.90 TSHR (0.53) THRBTSHRCES2PLA2G2C
SCHEMBL28479654 0.90 TSHR (0.53) THRBTSHRCES2PLA2G2C
SCHEMBL28483086 0.90 TSHR (0.53) THRBTSHRCES2PLA2G2C
SCHEMBL129320 0.86 TSHR (0.60) THRBTSHRALDH1A1PRKCAPRKCD
SCHEMBL28697418 0.84 TSHR (0.51) TSHRPRKCAPRKCD
SCHEMBL27438589 0.84 TSHR (0.51) TSHRPRKCAPRKCD
SCHEMBL28132394 0.84 TSHR (0.51) TSHRPRKCAPRKCD
SCHEMBL27700983 0.84 TSHR (0.51) TSHRPRKCAPRKCD
SCHEMBL28526610 0.84 TSHR (0.51) TSHRPRKCAPRKCD
SCHEMBL5838968 0.84 TSHR (0.51) TSHRPRKCAPRKCD

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-108235706-B Method for preparing polymers based on acryloyl dimethyltaurate, neutral monomers and monomers having carboxylate groups 科莱恩国际有限公司 2020-11-20 CN disclosed