SCHEMBL7801317

SCHEMBL7801317

CC(=Cc1ccc(S(C)(=O)=O)s1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.43
AKR1C3 P42330 4/20 0.42
PRSS1 P07477 1/20 0.38
TMPRSS15 P98073 1/20 0.38
APEX1 P27695 8/20 0.36
LOX P28300 1/20 0.35
PTGS2 P35354 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33
POLB P06746 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32

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
SCHEMBL2922217 0.75 MAPT (0.49) TBXAS1AKR1C3PRSS1TMPRSS15APEX1
SCHEMBL2922214 0.75 MAPT (0.49) TBXAS1AKR1C3PRSS1TMPRSS15APEX1
SCHEMBL29088426 0.72 KDM4E (0.47) TBXAS1AKR1C3PRSS1TMPRSS15POLB
SCHEMBL7799437 0.71 PKM (0.49) TBXAS1AKR1C3PRSS1TMPRSS15APEX1
SCHEMBL29088392 0.70 PRSS1 (0.41) TBXAS1AKR1C3PRSS1TMPRSS15APEX1
SCHEMBL27845900 0.69 LOX (0.43) LOXALDH1A1
SCHEMBL3465940 0.69 LOX (0.41) LOXALDH1A1
SCHEMBL19436416 0.69 LOX (0.57) LOX
SCHEMBL322182 0.67 DAO (0.52) LOXPOLBALDH1A1
SCHEMBL15836205 0.67 LMNA (0.47) LOXALDH1A1

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
EP-0790245-B1 Substituted Thiophenylalkenylcarbonylguanidide, method for their preparation, their use as medicinal or diagnostic agent as well as medicament containing them HOECHST AG (DE) 2001-06-13 EP claimed