SCHEMBL9725285

SCHEMBL9725285

COC(=O)/C=C(/C)c1c(O)cccc1SC(=O)N(C)C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA7 P43166 4/20 0.41
CA9 Q16790 4/20 0.41
CA14 Q9ULX7 4/20 0.41
THRB P10828 1/20 0.36
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
CYP19A1 P11511 1/20 0.31
TSHR P16473 2/20 0.31
ALDH1A1 P00352 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
TAS1R2 Q8TE23 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
SCHEMBL9725286 1.00 CA12 (0.41) CA12CA1CA2CA7CA9
SCHEMBL9725322 0.87 THRB (0.40) CA12CA1CA2CA7CA9
SCHEMBL9725321 0.87 THRB (0.40) CA12CA1CA2CA7CA9
SCHEMBL10741689 0.79 THRB (0.55) CA12CA1CA2CA7CA9
SCHEMBL5487560 0.71 PDE4A (0.41) CA12CA1CA2CA7CA9
SCHEMBL5487552 0.71 PDE4A (0.41) CA12CA1CA2CA7CA9
SCHEMBL24812139 0.70 ALDH1A1 (0.41) CA12CA1CA2CA7CA9
SCHEMBL3625970 0.69 CA12 (0.45) CA12CA1CA2CA7CA9
SCHEMBL10744361 0.68 NCEH1 (0.42) CA12CA1CA2CA7CA9
SCHEMBL2469181 0.66 TDP1 (0.41) THRBMEN1KMT2A

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
US-5169838-A Anticoagulants FOURNIER INDUSTRIE ET SANTE (FR) 1992-12-08 US disclosed