SCHEMBL28293254

SCHEMBL28293254

O=[Zn].[CH2]CCOC(=O)C(=C)C

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.55
TSHR P16473 3/20 0.53
ALDH1A1 P00352 2/20 0.42
TDP1 Q9NUW8 2/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 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
SCHEMBL33314 0.95
Arsenic SCHEMBL28242038 0.93 THRB (0.57) THRBTSHRALDH1A1TDP1POLB
SCHEMBL28156279 0.93 THRB (0.57) THRBTSHRALDH1A1TDP1POLB
SCHEMBL28196543 0.91 THRB (0.61) THRBTSHRALDH1A1TDP1POLB
SCHEMBL28212737 0.91 THRB (0.55) THRBTSHRALDH1A1TDP1POLB
SCHEMBL28212921 0.87 THRB (0.52) THRBTSHRALDH1A1TDP1POLB
SCHEMBL28072181 0.87 THRB (0.52) THRBTSHRALDH1A1TDP1POLB
Propionic Acid SCHEMBL28172772 0.85 THRB (0.55) THRBTSHRALDH1A1TDP1POLB
SCHEMBL28201292 0.84 THRB (0.58) THRBTSHRALDH1A1TDP1POLB
SCHEMBL15636 0.83 THRB (0.74) THRBTSHRALDH1A1TDP1POLB

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
CN-109777035-A A kind of composite material of polyether sulfone cladding carbon fiber 张炜平 2019-05-21 CN disclosed