SCHEMBL8577007

SCHEMBL8577007

COc1ccc(C2O[C@H]2C(N)=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
PARP1 P09874 1/20 0.48
PARP2 Q9UGN5 1/20 0.48
PARP4 Q9UKK3 1/20 0.48
MAOA P21397 3/20 0.46
MAPT P10636 2/20 0.46
HPGD P15428 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
TP53 P04637 1/20 0.46
PTGS2 P35354 1/20 0.46
RAB9A P51151 1/20 0.46
EDNRA P25101 2/20 0.45
EDNRB P24530 1/20 0.45
TSHR P16473 2/20 0.42
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
GABRA1 P14867 2/20 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
SCHEMBL8483110 1.00 PARP10 (0.48) PARP10CA1CA2PARP1PARP2
SCHEMBL8079337 1.00 PARP10 (0.48) PARP10CA1CA2PARP1PARP2
SCHEMBL1947261 1.00 PARP10 (0.48) PARP10CA1CA2PARP1PARP2
SCHEMBL6229779 0.84 EDNRA (0.54) CA1CA2MAOAMAPTHPGD
SCHEMBL9258771 0.84 EDNRA (0.54) CA1CA2MAOAMAPTHPGD
SCHEMBL7293698 0.84 EDNRA (0.54) CA1CA2MAOAMAPTHPGD
SCHEMBL6228156 0.84 EDNRA (0.54) CA1CA2MAOAMAPTHPGD
SCHEMBL7144597 0.84 EDNRA (0.54) CA1CA2MAOAMAPTHPGD
SCHEMBL8503544 0.82 BACE1 (0.52) CA1CA2MAOAMAPTHPGD
SCHEMBL8856846 0.82 BACE1 (0.52) CA1CA2MAOAMAPTHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5847122-A Process for preparing 1,5-benzothiazepine derivative TANABE SEIYAKU CO., LTD. (JP) 1998-12-08 US disclosed
EP-0792876-A2 Process for preparing 1,5-benzothiazepine derivative TANABE SEIYAKU CO., LTD. (JP) 1997-09-03 EP disclosed