SCHEMBL8545668

SCHEMBL8545668

NC(=O)N(O)Cc1ccc(OC[C@H]2CC[C@H](COc3ccc(CN(O)C(N)=O)cc3)CC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 6/20 0.59
PARP15 Q460N3 5/20 0.59
PARP2 Q9UGN5 2/20 0.59
ALOX5 P09917 5/20 0.50
ACACB O00763 3/20 0.43
PTGS1 P23219 1/20 0.43
PTGS2 P35354 1/20 0.43
MCHR1 Q99705 1/20 0.42

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
SCHEMBL8550197 0.80 MMP2 (0.49) ALOX5PTGS1PTGS2
SCHEMBL8546769 0.78 ITGB3 (0.49) ALOX5PTGS1PTGS2
SCHEMBL8549962 0.78 ITGB3 (0.49) ALOX5PTGS1PTGS2
SCHEMBL8545311 0.78 ITGB3 (0.49) ALOX5PTGS1PTGS2
SCHEMBL8546442 0.77 ALOX5 (0.51) PARP10PARP15ALOX5PTGS1PTGS2
SCHEMBL8547601 0.77 ALOX5 (0.46) PARP10ALOX5PTGS1PTGS2
SCHEMBL8547612 0.77 ALOX5 (0.46) PARP10ALOX5PTGS1PTGS2
SCHEMBL8552020 0.77 ALOX5 (0.46) PARP10ALOX5PTGS1PTGS2
SCHEMBL8549400 0.77 PARP10 (0.49) PARP10PARP15PARP2ALOX5PTGS1
SCHEMBL8544280 0.75 FURIN (0.52) PARP10ALOX5

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