SCHEMBL8897007

SCHEMBL8897007

CC(C)[C@H](N)C(=O)N(C(=O)OC(C)(C)C)C(C)c1cc2ccccc2s1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.51
CYP1A2 P05177 2/20 0.51
PTGES O14684 1/20 0.51
LMNA P02545 1/20 0.51
LTA4H P09960 1/20 0.51
GAA P10253 1/20 0.51
ALOX15 P16050 1/20 0.51
ALOX12 P18054 1/20 0.51
ALOX5AP P20292 1/20 0.51
LOX P28300 1/20 0.51
EPHX2 P34913 1/20 0.51
PTGS2 P35354 1/20 0.51
LTB4R Q15722 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
SCHEMBL8060767 0.80 ALOX5 (0.53) ALOX5CYP1A2LMNAGAAALOX15
SCHEMBL8897895 0.77 ALOX5 (0.39) ALOX5GAAALOX15
SCHEMBL8743722 0.73 ALOX5 (0.59) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL8076380 0.72 HTT (0.40) LMNAGAA
SCHEMBL8069827 0.70 MAPT (0.34) ALOX5
SCHEMBL8897373 0.70 GPR84 (0.42) GAA
SCHEMBL8771878 0.69 MMP13 (0.33) ALOX5CYP1A2GAA
SCHEMBL8071333 0.69 ALDH1A1 (0.39) CYP1A2GAAALOX15
SCHEMBL31142511 0.69 PAX8 (0.42) ALOX5CYP1A2PTGESLMNALTA4H
SCHEMBL13654023 0.68 ALOX5 (0.74) ALOX5CYP1A2PTGESLMNALTA4H

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
EP-0587110-B1 Condensed heterocyclic derivatives and agricultural or horticultural fungicides containing the same KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-12-17 EP disclosed