SCHEMBL22471964

SCHEMBL22471964

C=C(C)C(=O)OCCC(=O)O.[Zn]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.53
TSHR P16473 4/20 0.52
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 3/20 0.41
LMNA P02545 4/20 0.37
SLC15A2 Q16348 1/20 0.37
EGLN1 Q9GZT9 2/20 0.33
FFAR3 O14843 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALKBH5 Q6P6C2 1/20 0.33
SUCNR1 Q9BXA5 1/20 0.33
KDM4E B2RXH2 1/20 0.32
KDM6B O15054 1/20 0.32

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
SCHEMBL30546666 1.00 THRB (0.53) THRBTSHRPOLBAPEX1HTT
SCHEMBL75014 0.98 THRB (0.55) THRBTSHRPOLBAPEX1HTT
SCHEMBL22471967 0.96 THRB (0.53) THRBTSHRPOLBAPEX1HTT
Succinic Acid SCHEMBL28866675 0.96 THRB (0.53) THRBTSHRPOLBAPEX1HTT
Ammonia Solution, Strong SCHEMBL18139541 0.96 THRB (0.53) THRBTSHRPOLBAPEX1HTT
SCHEMBL30546681 0.96 THRB (0.53) THRBTSHRPOLBAPEX1HTT
SCHEMBL7090019 0.90 THRB (0.58) THRBTSHRPOLBAPEX1HTT
Glycine SCHEMBL28311968 0.90 THRB (0.48) THRBTSHRPOLBAPEX1HTT
Phosphoric Acid SCHEMBL17294762 0.90 THRB (0.48) THRBTSHRPOLBAPEX1HTT
SCHEMBL12216058 0.90 THRB (0.48) THRBTSHRPOLBAPEX1HTT

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
WO-2020235382-A1 ANTIFOULING COATING COMPOSITION 中国塗料株式会社 (JP) 2020-11-26 WO disclosed
WO-2020195907-A1 ANTIFOULING COATING COMPOSITION 中国塗料株式会社 2020-10-01 WO disclosed