SCHEMBL9791105

SCHEMBL9791105

CC(C)CSc1ccccc1C=CC(=O)N(C)O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.49
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
BACE1 P56817 1/20 0.38
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37
ITGAL P20701 1/20 0.37
ALDH1A1 P00352 1/20 0.36
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34

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
SCHEMBL9791012 0.81 NPY2R (0.51) ALOX5PTGS1PTGS2ALDH1A1
SCHEMBL9791006 0.81 NPY2R (0.51) ALOX5PTGS1PTGS2ALDH1A1
SCHEMBL9791043 0.80 ALOX5 (0.48) ALOX5PTGS2
SCHEMBL9791218 0.80 ALOX5 (0.48) ALOX5PTGS1PTGS2BACE1ITGB2
SCHEMBL9791169 0.80 ALOX5 (0.48) ALOX5PTGS1PTGS2ALDH1A1
SCHEMBL9791045 0.80 ALOX5 (0.48) ALOX5PTGS2
SCHEMBL3363362 0.80 ALOX5 (0.73) ALOX5PTGS1PTGS2BACE1ITGB2
SCHEMBL3363365 0.80 ALOX5 (0.73) ALOX5PTGS1PTGS2BACE1ITGB2
SCHEMBL9791017 0.78 PTGS2 (0.48) ALOX5PTGS2
SCHEMBL9791013 0.78 PTGS2 (0.48) ALOX5PTGS2

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-5028629-A 2-(Substituted)-N-Hydroxy-N-Alkylcinnamamides ELI LILLY AND COMPANY (US) 1991-07-02 US disclosed