SCHEMBL28576709

SCHEMBL28576709

CCCCCS/C=C(/I)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.41
GMNN O75496 1/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
CYP2C9 P11712 1/20 0.41
BLM P54132 1/20 0.41
CES2 O00748 1/20 0.37
EP300 Q09472 1/20 0.37
AKR1B1 P15121 1/20 0.35
DEGS1 O15121 1/20 0.35
ASAH1 Q13510 1/20 0.35
GPR84 Q9NQS5 7/20 0.34
PPARG P37231 7/20 0.34
PPARD Q03181 7/20 0.34
PPARA Q07869 7/20 0.34
HDAC11 Q96DB2 5/20 0.34
TSHR P16473 4/20 0.34
PTPN1 P18031 3/20 0.34

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
SCHEMBL28945301 0.79 FAAH (0.41) HSD17B10GMNNTP53POLBMAPT
SCHEMBL28580957 0.79 FAAH (0.41) HSD17B10GMNNTP53POLBMAPT
SCHEMBL6405359 0.78 THRB (0.42) HSD17B10GMNNTP53POLBMAPT
SCHEMBL8999212 0.77 THRB (0.46) HSD17B10GMNNTP53POLBMAPT
SCHEMBL292695 0.75 THRB (0.38) HSD17B10GMNNTP53POLBMAPT
SCHEMBL292696 0.75 THRB (0.38) HSD17B10GMNNTP53POLBMAPT
SCHEMBL292697 0.73 THRB (0.39) HSD17B10GMNNTP53POLBMAPT
SCHEMBL11144040 0.69 CES2 (0.43) HSD17B10GMNNTP53POLBMAPT
SCHEMBL20565070 0.68 EP300 (0.64) HSD17B10GMNNPOLBMAPTCYP2C9
SCHEMBL9450239 0.67 HSD17B10 (0.47) HSD17B10GMNNTP53POLBMAPT

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
CN-113045463-B Synthesis method of (E) -3-arylthio-2-iodoethyl acrylate compound 湖南科技学院 2023-02-03 CN claimed
CN-113045463-A Synthesis method of (E) -3-arylthio-2-iodoethyl acrylate compound 湖南科技学院 2021-06-29 CN claimed
CN-113045463-A Synthesis method of (E) -3-arylthio-2-iodoethyl acrylate compound 湖南科技学院 2021-06-29 CN disclosed