SCHEMBL8555612

SCHEMBL8555612

CC(C)(C)OC(=O)COc1ccc(CO)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.43
PSEN1 P49768 3/20 0.41
PSEN2 P49810 3/20 0.41
APH1B Q8WW43 3/20 0.41
NCSTN Q92542 3/20 0.41
APH1A Q96BI3 3/20 0.41
PSENEN Q9NZ42 3/20 0.41
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 3/20 0.37
HPGD P15428 2/20 0.37
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL8556076 0.89 PTPN1 (0.41) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL13141213 0.87 PTPN1 (0.42) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL7263703 0.86 KDM4E (0.37) KDM4EALDH1A1L3MBTL1MAPT
SCHEMBL2904798 0.83 PTGS2 (0.47) KDM4EALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL12147577 0.82 PTPN1 (0.44) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL25659622 0.81 PTPN1 (0.41) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL23348672 0.81 PTPN1 (0.44) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL30188377 0.81 PTPN1 (0.44) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL30404770 0.81 GAA (0.54) PTPN1KDM4EALDH1A1GAAMAPT
SCHEMBL25283935 0.81 GAA (0.54) PTPN1KDM4EALDH1A1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641770-B1 NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY MEIJI SEIKA CO (JP) 1998-05-13 EP disclosed
US-5698692-A INHIBIT BINDING BETWEEN PLATELET MEMBRANE GLYCOPROTEIN AND FIBRINOGEN MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-12-16 US disclosed
US-5594004-A CARDIOVASCULAR DISORDERS AND ANTICOAGULANTS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-01-14 US disclosed
EP-0641770-A1 NOVEL COMPOUND WITH PLATELET AGGREGATION INHIBITOR ACTIVITY MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-03-08 EP disclosed