SCHEMBL7921681

SCHEMBL7921681

CC(=O)NC(C)[C@H]1Cc2ccc(OS(=O)(=O)C(F)(F)F)cc2O1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RORC P51449 14/20 0.42
CXCR2 P25025 2/20 0.41
DRD2 P14416 1/20 0.40
HTR1D P28221 1/20 0.40
DRD3 P35462 1/20 0.40
HSD11B1 P28845 1/20 0.38
CXCR1 P25024 1/20 0.38

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
SCHEMBL1390601 1.00 RORC (0.42) RORCCXCR2DRD2HTR1DDRD3
SCHEMBL1390545 1.00 RORC (0.42) RORCCXCR2DRD2HTR1DDRD3
SCHEMBL1390598 1.00 RORC (0.42) RORCCXCR2DRD2HTR1DDRD3
SCHEMBL1390540 1.00 RORC (0.42) RORCCXCR2DRD2HTR1DDRD3
SCHEMBL1390922 1.00 RORC (0.42) RORCCXCR2DRD2HTR1DDRD3
SCHEMBL1390942 1.00 RORC (0.42) RORCCXCR2DRD2HTR1DDRD3
SCHEMBL1390693 0.77 MAPT (0.41)
SCHEMBL1390878 0.77 MAPT (0.41)
SCHEMBL7795628 0.77 CXCR2 (0.39) CXCR2DRD2HTR1DDRD3HSD11B1
SCHEMBL7922873 0.74 ACACB (0.51)

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
WO-2010050445-A1 BICYCLIC COMPOUND 武田薬品工業株式会社 (JP) 2010-05-06 WO disclosed