SCHEMBL29050852

SCHEMBL29050852

CC(C)(C(=O)O)c1ccc(S)cc1Br

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.30
SLC22A12 Q96S37 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
SCHEMBL1345677 0.79 PKM (0.42) NOTUM
SCHEMBL23243211 0.79 PPARA (0.40) NOTUMSLC22A12
SCHEMBL31079813 0.79 PPARA (0.40) NOTUMSLC22A12
SCHEMBL3136256 0.73 KMT2A (0.41)
SCHEMBL25370828 0.70 PTGDR2 (0.45) PTGDR2
SCHEMBL11775894 0.69 NOTUM (0.44) NOTUM
SCHEMBL27986171 0.69 MAPT (0.43) SLC22A12
SCHEMBL31079928 0.68 FLT1 (0.36) NOTUM
SCHEMBL23243432 0.68 FLT1 (0.36) NOTUM
SCHEMBL22716745 0.68 KDM4E (0.50) PTGDR2

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-116593556-A Temperature-responsive yeast cell imprinting modified electrode and preparation method and application thereof 辽宁师范大学 2023-08-15 CN disclosed