SCHEMBL9685836

SCHEMBL9685836

CC(NC(=O)NO)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.66
ACACA Q13085 1/20 0.56
ALOX5 P09917 2/20 0.56
F7 P08709 1/20 0.54
LTA4H P09960 1/20 0.52

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
SCHEMBL9668698 0.87 ACACB (0.63) ACACBACACAALOX5F7LTA4H
SCHEMBL9398051 0.83 ACACB (0.60) ACACBALOX5LTA4H
SCHEMBL9686116 0.82 ACACB (0.67) ACACBACACAALOX5LTA4H
SCHEMBL9474891 0.81 ACACB (0.65) ACACBACACAALOX5F7LTA4H
SCHEMBL3425496 0.80 ACACB (0.64) ACACBACACAALOX5F7LTA4H
SCHEMBL9686091 0.79 ACACB (0.58) ACACBACACAALOX5
SCHEMBL10426966 0.78 ACACB (0.58) ACACBALOX5LTA4H
Hydroxyurea SCHEMBL9474720 0.77 ALOX5 (0.60) ACACBALOX5LTA4H
Hydroxyurea SCHEMBL9475017 0.77 ALOX5 (0.60) ACACBALOX5LTA4H
SCHEMBL2885897 0.77 ALOX5 (0.62) ACACBALOX5LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1990008545-A1 LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1990-08-09 WO claimed
US-5175183-A Antiinflammatory agents, respiratory system disorders ABBOTT LABORATORIES (US) 1992-12-29 US disclosed
WO-1990008545-A1 LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1990-08-09 WO disclosed