SCHEMBL8549400

SCHEMBL8549400

NC(=O)N(Cc1ccc(OC[C@H]2CC[C@H](COc3ccc(CN(OCc4ccccc4)C(N)=O)cc3)CC2)cc1)OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 5/20 0.49
PARP15 Q460N3 4/20 0.49
PARP2 Q9UGN5 2/20 0.49
ALOX5 P09917 3/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KCNH2 Q12809 1/20 0.41
FFAR1 O14842 1/20 0.41

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
SCHEMBL8550313 0.84 MEN1 (0.49) PARP10ALOX5PTGS1PTGS2L3MBTL1
SCHEMBL8546552 0.83 MEN1 (0.48) PARP10ALOX5PTGS1PTGS2L3MBTL1
SCHEMBL8545528 0.82 NR3C1 (0.48) PARP10ALOX5PTGS1PTGS2L3MBTL1
SCHEMBL8547009 0.82 NR3C1 (0.48) PARP10ALOX5PTGS1PTGS2L3MBTL1
SCHEMBL5320045 0.82 PARP10 (0.44) PARP10ALOX5PTGS1PTGS2L3MBTL1
SCHEMBL8550341 0.80 FURIN (0.44) PARP10KCNH2
SCHEMBL8550259 0.79 PLA2G10 (0.49) PARP10ALOX5PTGS1PTGS2L3MBTL1
SCHEMBL8549653 0.79 LPAR1 (0.46) ALOX5PTGS1PTGS2L3MBTL1FFAR1
SCHEMBL8545520 0.78 PPIB (0.51) PARP10ALOX5PTGS1PTGS2L3MBTL1
SCHEMBL8545668 0.77 PARP10 (0.59) PARP10PARP15PARP2ALOX5PTGS1

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