SCHEMBL9686116

SCHEMBL9686116

CC(NC(=O)N(C)O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.67
ALOX5 P09917 3/20 0.58
ACACA Q13085 1/20 0.57
NPY5R Q15761 1/20 0.54
LTA4H P09960 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAOB P27338 1/20 0.51

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
SCHEMBL9474891 0.89 ACACB (0.65) ACACBALOX5ACACANPY5RLTA4H
SCHEMBL9685836 0.82 ACACB (0.66) ACACBALOX5ACACALTA4H
SCHEMBL9668698 0.80 ACACB (0.63) ACACBALOX5ACACALTA4H
SCHEMBL9473341 0.79 ALOX5 (0.75) ACACBALOX5NPY5RLTA4H
SCHEMBL9398051 0.78 ACACB (0.60) ACACBALOX5LTA4HMAOB
SCHEMBL9707244 0.77 ALOX5 (0.66) ALOX5SMN1; SMN2MAOB
SCHEMBL3425496 0.77 ACACB (0.64) ACACBALOX5ACACALTA4HNPC1
SCHEMBL10619656 0.77 ALOX5 (0.73) ACACBALOX5
SCHEMBL9668706 0.77 ALOX5 (0.62) ACACBALOX5NPY5RLTA4HMAOB
SCHEMBL10618997 0.77 ALOX5 (0.73) ACACBALOX5NPY5RLTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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