SCHEMBL31192547

SCHEMBL31192547

O=C(O)c1cccc(S(=O)(=O)C2CC2)c1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 8/20 0.71
MAPT P10636 1/20 0.54
IL1RN P18510 1/20 0.54
F2 P00734 2/20 0.51
PRSS1 P07477 2/20 0.51
PRSS2 P07478 2/20 0.51
PRSS3 P35030 2/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
AKR1C1 Q04828 3/20 0.51
ALDH1A1 P00352 1/20 0.51
APEX1 P27695 1/20 0.49
CYP2C19 P33261 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MEP1B Q16820 1/20 0.47
KMO O15229 1/20 0.46
GFER P55789 1/20 0.46

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
SCHEMBL21225183 1.00 AKR1C3 (0.71) AKR1C3MAPTIL1RNF2PRSS1
SCHEMBL30921570 0.93 AKR1C3 (0.68) AKR1C3MAPTIL1RNF2PRSS1
SCHEMBL2566255 0.93 AKR1C3 (0.68) AKR1C3MAPTIL1RNF2PRSS1
SCHEMBL1000570 0.92 AKR1C3 (0.66) AKR1C3MAPTIL1RNF2PRSS1
SCHEMBL16408484 0.92 AKR1C3 (0.66) AKR1C3MAPTIL1RNF2PRSS1
SCHEMBL29503180 0.85 ALDH1A1 (0.56) AKR1C3F2PRSS1PRSS2PRSS3
SCHEMBL26144974 0.83 AKR1C3 (0.59) AKR1C3MAPTIL1RNF2PRSS1
SCHEMBL2594743 0.82 CA1 (0.53) AKR1C3F2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL5130887 0.80 AKR1C3 (0.56) AKR1C3MAPTIL1RNF2PRSS1
SCHEMBL2048495 0.79 HTR2A (0.59) AKR1C3MAPTCA1CA2ALDH1A1

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-114585603-B Prostaglandin EP4Receptor antagonist compounds 奈克斯拉制药英国有限公司 2024-11-08 CN disclosed