SCHEMBL5057261

SCHEMBL5057261

C=C(C)C(=O)OCC(CCCC)S(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.47
RECQL P46063 1/20 0.40
THRB P10828 1/20 0.38
CA2 P00918 2/20 0.34
CYP3A4 P08684 2/20 0.34
CA1 P00915 1/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TP53 P04637 1/20 0.32
PLA2G2C Q5R387 1/20 0.31
MMP1 P03956 5/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP7 P09237 4/20 0.31
MMP12 P39900 4/20 0.31
MMP13 P45452 4/20 0.31
ACE P12821 2/20 0.31
ECE1 P42892 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
SCHEMBL8086434 0.83 TSHR (0.53) TSHRRECQLTHRBALDH1A1
SCHEMBL14761131 0.82 TSHR (0.52) TSHRRECQLTHRBALDH1A1
Methacrylic Acid SCHEMBL6988853 0.80 TSHR (0.51) TSHRRECQLTHRBATMTDP1
SCHEMBL29224043 0.80 TSHR (0.53) TSHRTHRBCA2CA1ALDH1A1
Methacrylic Acid SCHEMBL8861203 0.79 TSHR (0.49) TSHRRECQLTHRBTDP1ALDH1A1
SCHEMBL16628580 0.79 TSHR (0.47) TSHRRECQLTHRBCA2CA1
SCHEMBL8735168 0.78 TSHR (0.55) TSHRRECQLTHRBCA2CYP3A4
SCHEMBL27497939 0.78 TSHR (0.51) TSHRRECQLTHRBTDP1ALDH1A1
SCHEMBL5050845 0.78 TSHR (0.60) TSHRRECQLTHRBCA2CYP3A4
SCHEMBL9354641 0.78 TSHR (0.56) TSHRRECQLTHRBCA2CYP3A4

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-20080281014-A1 Nanosubstance-Containing Composition, Process for Producing the Same, and Composite Made With the Same MITSUBISHI RAYON CO., LTD. (JP) 2008-11-13 US disclosed