SCHEMBL9070045

SCHEMBL9070045

C=C(C)C(=O)OCCS(=O)(=O)CCC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 2/20 0.52
THRB P10828 1/20 0.44
TSHR P16473 3/20 0.43
HTT P42858 2/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 3/20 0.35
PLA2G4B P0C869 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.30
SLC15A2 Q16348 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
SCHEMBL9228965 0.89 THRB (0.53) APEX1THRBTSHRHTTPOLB
SCHEMBL874209 0.84 THRB (0.46) APEX1THRBTSHRHTTPOLB
SCHEMBL5872171 0.82 TSHR (0.55) APEX1THRBTSHRHTTPOLB
SCHEMBL9316932 0.82 THRB (0.47) APEX1THRBTSHRHTTPOLB
SCHEMBL3291007 0.82 THRB (0.55) APEX1THRBTSHRHTTPOLB
SCHEMBL10894924 0.81 THRB (0.46) APEX1THRBTSHRHTTPOLB
SCHEMBL10901127 0.81 THRB (0.46) APEX1THRBTSHRHTTPOLB
SCHEMBL9221212 0.80 THRB (0.39) APEX1THRBTSHRHTTPOLB
SCHEMBL5872286 0.79 TSHR (0.61) APEX1THRBTSHRHTTPOLB
Succinic Acid SCHEMBL5426323 0.79 THRB (0.61) APEX1THRBTSHRHTTPOLB

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
US-5587499-A SIMPLE, EFFICIENT ELF ATOCHEM S.A. (FR) 1996-12-24 US disclosed
US-5457172-A An alkoxycarbonylalkylthio(or sulfone or sulfoxide) alkyl acrylate monomer; homo- and copolymers; molding materials; castings; binders; coating vehicles ELF ATOCHEM S.A. (FR) 1995-10-10 US disclosed