SCHEMBL28629779

SCHEMBL28629779

COc1ccc(C2SCC(=O)N2c2c(C)cccc2C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.61
GFER P55789 4/20 0.58
KMT2A Q03164 5/20 0.53
MEN1 O00255 3/20 0.53
PTGS2 P35354 2/20 0.50
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
PTGS1 P23219 1/20 0.49

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
SCHEMBL28625742 0.88 HTR7 (0.58) HTR7
SCHEMBL28634791 0.87 HTR7 (0.61) HTR7GFERKMT2AMEN1PTGS2
SCHEMBL28634811 0.87 HTR7 (0.60) HTR7
SCHEMBL19330109 0.87 HTR7 (0.73) HTR7KMT2AMEN1
SCHEMBL28631039 0.84 PTGS2 (0.61) HTR7PTGS2PTGS1
SCHEMBL28641312 0.80 HTR7 (0.64) HTR7GFERKMT2AMEN1
SCHEMBL28645399 0.77 HTR7 (0.71) HTR7KMT2AMEN1
SCHEMBL19330105 0.77 HTR7 (0.71) HTR7KMT2AMEN1
SCHEMBL28627674 0.77 HTR7 (0.62) HTR7GFERKMT2AMEN1
SCHEMBL19306376 0.76 HTR7 (1.00) HTR7

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-108883099-B Thiazolidinone compounds and use thereof 石全 2021-09-28 CN disclosed