SCHEMBL7469971

SCHEMBL7469971

C/C(=C\CCOS(=O)(=O)c1ccc(C)cc1)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.38
STAT3 P40763 2/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA9 Q16790 1/20 0.37
BCHE P06276 2/20 0.36
ACHE P22303 2/20 0.36
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
G6PD P11413 1/20 0.36
PSMD10 O75832 1/20 0.34
TLR9 Q9NR96 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2D6 P10635 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34

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
SCHEMBL7469977 1.00 DHODH (0.38) DHODHSTAT3CA12CA1CA9
SCHEMBL7469967 1.00 DHODH (0.38) DHODHSTAT3CA12CA1CA9
SCHEMBL1018381 0.86 DHODH (0.40) DHODHSTAT3CA12CA1CA9
SCHEMBL1018380 0.86 DHODH (0.40) DHODHSTAT3CA12CA1CA9
SCHEMBL5685548 0.82 STAT3 (0.41) DHODHSTAT3CA12CA1CA9
SCHEMBL30517275 0.80 G6PD (0.44) STAT3CA12CA1CA9ALDH1A1
SCHEMBL11048223 0.79 STAT3 (0.44) DHODHSTAT3CA12CA1CA9
SCHEMBL11049164 0.79 STAT3 (0.44) DHODHSTAT3CA12CA1CA9
SCHEMBL18026768 0.78 DHODH (0.38) DHODHSTAT3CA12CA1CA9
SCHEMBL9417659 0.77 TRPV1 (0.50) DHODHALDH1A1KMT2ALMNAMAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0930298-B1 FLUORINATED 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMA CO LTD (JP) 2002-12-18 EP disclosed
US-6040449-A USEFUL FOR FORMING FLUORINE CONTAINING 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES, USEFUL AS ANTAGONIST FOR MUSCARINIC M3 RECEPTORS AND LESS SIDE EFFECT BANYU PHARMACEUTICAL CO LTD (JP) 2000-03-21 US disclosed
US-5948792-A POTENT AND SELECTIVE ANTAGONISTS FOR MUSCARINIC M.SUB.3 RECEPTORS WITH LITTLE SIDE EFFECTS. BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-09-07 US disclosed
EP-0930298-A1 FLUORINATED 1,4-DISUBSTITUTED PIPERIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-07-21 EP disclosed