SCHEMBL28855829

SCHEMBL28855829

C=C(C)C(=O)OCCO.C=C(CC(=O)OCCCC)C(=O)OCCCC

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.57
THRB P10828 1/20 0.42
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ACHE P22303 7/20 0.41
ALDH1A1 P00352 1/20 0.41
FAAH O00519 1/20 0.39
NAAA Q02083 1/20 0.38
MGLL Q99685 1/20 0.38
HPGD P15428 1/20 0.37
RAD52 P43351 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ATM Q13315 1/20 0.35

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
SCHEMBL5463128 0.88 TSHR (0.46) TSHRACHEALDH1A1FAAHNAAA
SCHEMBL1004833 0.87 TSHR (0.72) TSHRTHRBPOLBAPEX1HTT
SCHEMBL194857 0.87 TSHR (0.52) TSHRACHEALDH1A1FAAHNAAA
Hydrochloric Acid SCHEMBL10881989 0.86 TSHR (0.50) TSHRACHEALDH1A1FAAHNAAA
SCHEMBL28132099 0.86 TSHR (0.50) TSHRACHEALDH1A1FAAHNAAA
SCHEMBL28067178 0.85 TSHR (0.51) TSHRTHRBPOLBAPEX1HTT
SCHEMBL8460908 0.84 ACHE (0.40) TSHRTHRBACHEALDH1A1FAAH
SCHEMBL15156040 0.84 TSHR (0.58) TSHRACHEALDH1A1FAAHNAAA
SCHEMBL28117884 0.84 TSHR (0.58) TSHRACHEALDH1A1FAAHNAAA
SCHEMBL15157019 0.83 TSHR (0.61) TSHRACHEALDH1A1FAAHNAAA

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-107614631-B Natural drying type water-based paint compositions 日本油漆株式会社 2019-02-26 CN disclosed
CN-107614631-A Natural drying type water-based paint compositions 日本油漆株式会社 2018-01-19 CN disclosed