SCHEMBL8552020

SCHEMBL8552020

NC(=O)N(O)Cc1ccc(OC/C=C\COc2ccc(CN(O)C(N)=O)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.46
PTGS1 P23219 1/20 0.46
PTGS2 P35354 1/20 0.46
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MMP2 P08253 1/20 0.40
PARP10 Q53GL7 1/20 0.40
AOC3 Q16853 1/20 0.39
PPARD Q03181 2/20 0.38
PPARA Q07869 2/20 0.38
PPARG P37231 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
SCHEMBL8547612 1.00 ALOX5 (0.46) ALOX5PTGS1PTGS2KDM4EALDH1A1
SCHEMBL8547601 1.00 ALOX5 (0.46) ALOX5PTGS1PTGS2KDM4EALDH1A1
SCHEMBL8550197 0.83 MMP2 (0.49) ALOX5PTGS1PTGS2MMP2
SCHEMBL8546769 0.82 ITGB3 (0.49) ALOX5PTGS1PTGS2MMP2
SCHEMBL8545311 0.82 ITGB3 (0.49) ALOX5PTGS1PTGS2MMP2
SCHEMBL8549962 0.82 ITGB3 (0.49) ALOX5PTGS1PTGS2MMP2
SCHEMBL8546442 0.81 ALOX5 (0.51) ALOX5PTGS1PTGS2ALDH1A1PARP10
SCHEMBL9474556 0.78 ALOX5 (0.74) ALOX5PTGS1PTGS2PARP10
SCHEMBL8548288 0.77 ALOX5 (0.59) ALOX5PTGS1PTGS2PARP10
SCHEMBL8545668 0.77 PARP10 (0.59) ALOX5PTGS1PTGS2PARP10

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
EP-0696585-B1 NOVEL BISOXADIAZOLIDINE DERIVATIVE YAMANOUCHI PHARMA CO LTD (JP) 1998-12-16 EP disclosed
US-5643931-A ANTIDIABETIC AGENTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed
EP-0696585-A1 NOVEL BISOXADIAZOLIDINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1996-02-14 EP disclosed