SCHEMBL9304085

SCHEMBL9304085

O=C(O)CCC(NNc1ccc(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 10/20 0.43
CA1 P00915 9/20 0.43
MMP9 P14780 1/20 0.43
MMP8 P22894 1/20 0.43
MMP13 P45452 1/20 0.43
ADAMTS4 O75173 1/20 0.43
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
GGH Q92820 1/20 0.36
FOLH1 Q04609 3/20 0.36
KEAP1 Q14145 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL9304979 0.78 CA1 (0.46) CA2CA1CA12CA9GAA
SCHEMBL7282302 0.74 GAA (0.59) MMP9MMP8MMP13ADAMTS4GGH
SCHEMBL9303840 0.73 MMP9 (0.57) MMP9MMP8MMP13ADAMTS4GGH
SCHEMBL9304277 0.71 MAPT (0.48) GGHFOLH1GAATDP1
SCHEMBL9304269 0.71 MAPT (0.48) GGHFOLH1GAATDP1
SCHEMBL9516778 0.70 CA2 (0.46) CA2CA1GAA
SCHEMBL28975397 0.69 CA2 (0.52) CA2CA1MMP9MMP8MMP13
SCHEMBL9520371 0.69 CA2 (0.45) CA2CA1GAA
SCHEMBL28726877 0.68 CA2 (0.41) CA2CA1MMP9MMP8MMP13
SCHEMBL9303979 0.66 CA2 (0.50) CA2CA1CA12CA9GAA

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-5312565-A Nonlinear optical materials E. I. DUPONT DE NEMOURS AND COMPANY (US) 1994-05-17 US disclosed