SCHEMBL28046711

SCHEMBL28046711

C=C(CCC)C(=O)OCCCS(=O)(=O)O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
THRB P10828 1/20 0.33
EPHX2 P34913 1/20 0.32
ATM Q13315 1/20 0.32
APP P05067 1/20 0.31
NAAA Q02083 1/20 0.31
DGKA P23743 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
RAD52 P43351 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL11650042 0.90 TSHR (0.37) TSHRALDH1A1THRB
SCHEMBL5671965 0.88 APP (0.34) TSHRAPP
SCHEMBL28046780 0.85 TSHR (0.38) TSHRTHRBEPHX2APPDGKA
SCHEMBL9436660 0.83 TSHR (0.42) TSHRALDH1A1HPGDTHRBEPHX2
Methacrylic Acid SCHEMBL22089841 0.83 TSHR (0.39) TSHRTHRBPOLBAPEX1HTT
SCHEMBL3477377 0.82 TSHR (0.55) TSHRALDH1A1HPGDTHRBATM
SCHEMBL8080880 0.81 APP (0.34) TSHRAPP
SCHEMBL6049037 0.81 TSHR (0.47) TSHRALDH1A1EPHX2DGKATDP1
SCHEMBL3478058 0.80 TSHR (0.63) TSHRALDH1A1HPGDATMNAAA
SCHEMBL3423721 0.80 THRB (0.47) TSHRALDH1A1HPGDTHRBATM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105153359-A Conductive hydrogel, conductive hydrogel coil and their preparation methods DONGGUAN WANKANG MEDICAL DEVICES CO LTD 2015-12-16 CN claimed
CN-105153359-A Conductive hydrogel, conductive hydrogel coil and their preparation methods DONGGUAN WANKANG MEDICAL DEVICES CO LTD 2015-12-16 CN disclosed