SCHEMBL22503267

SCHEMBL22503267

O=C(CCC(F)(F)F)NS(=O)(=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CXCR2 P25025 1/20 0.34
MMP2 P08253 3/20 0.32
MMP9 P14780 3/20 0.32
MMP12 P39900 2/20 0.32
MAPK1 P28482 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MMP1 P03956 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
AKR1C3 P42330 1/20 0.31
EPHX1 P07099 1/20 0.31
NAMPT P43490 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
SCHEMBL7240710 0.81 HDAC3 (0.43) CA1CA2CXCR2MMP2MMP9
SCHEMBL22503212 0.81 PHF8 (0.43) CA1CA2
SCHEMBL22503265 0.80 CA1 (0.42) CA1CA2MMP2MMP9MMP12
SCHEMBL22503096 0.78 CA1 (0.37) CA1CA2CXCR2MMP2MMP9
SCHEMBL22503073 0.78 EPHX1 (0.47) CA1CA2SMN1; SMN2EPHX1
SCHEMBL27552476 0.77 CA1 (0.44) CA1CA2MMP2MMP9MMP12
SCHEMBL27717034 0.77 CA1 (0.37) CA1CA2MMP2MMP9MMP1
SCHEMBL22503072 0.76 EPHX1 (0.50) CA1CA2MAPK1EPHX1
SCHEMBL22503097 0.76 TERT (0.36) CA1CA2MMP2MMP9MMP12
SCHEMBL22503220 0.76 CA1 (0.35) CA1CA2SMN1; SMN2NAMPT

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-10792489-B2 Bio-electrode composition, bio-electrode, and method for manufacturing the bio-electrode SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-10-06 US disclosed