SCHEMBL28314840

SCHEMBL28314840

C=C(C)C(=O)OCCS(=O)(=O)NC

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.47
TSHR P16473 3/20 0.46
ALDH1A1 P00352 2/20 0.40
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA2 P00918 1/20 0.30
PTGS2 P35354 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
SCHEMBL15426661 0.82 THRB (0.44) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL25486358 0.81 THRB (0.43) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL28038842 0.80 ALDH1A1 (0.41) TSHRALDH1A1CA2PTGS2
SCHEMBL9228965 0.80 THRB (0.53) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL26297254 0.80 THRB (0.42) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL14895 0.79 THRB (0.52) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL2936706 0.79 THRB (0.52) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL29323672 0.78 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL25486280 0.77 THRB (0.47) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL12399377 0.77 THRB (0.40) THRBTSHRALDH1A1POLBAPEX1

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-110191928-A For the stabilized surfactant of extruded foam PPG涂料欧洲有限责任公司 2019-08-30 CN disclosed