SCHEMBL8555283

SCHEMBL8555283

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.41
PSEN1 P49768 3/20 0.39
PSEN2 P49810 3/20 0.39
APH1B Q8WW43 3/20 0.39
NCSTN Q92542 3/20 0.39
APH1A Q96BI3 3/20 0.39
PSENEN Q9NZ42 3/20 0.39
P4HTM Q9NXG6 1/20 0.37
SYK P43405 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GSK3B P49841 1/20 0.36
MAPT P10636 2/20 0.35
CYP2C9 P11712 2/20 0.35

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
SCHEMBL20593092 0.85 P4HTM (0.52) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL8593499 0.85 PTPN1 (0.43) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL18940463 0.82 MAPK1 (0.49) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL23348672 0.80 PTPN1 (0.44) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL7332590 0.80 GSK3B (0.54) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL30188377 0.80 PTPN1 (0.44) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL12147577 0.79 PTPN1 (0.44) PTPN1PSEN1PSEN2APH1BNCSTN
SCHEMBL8552801 0.78 HPGD (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
Bromide SCHEMBL30518647 0.77 P4HTM (0.44) P4HTMMEN1KMT2ANPC1RAB9A
SCHEMBL21484711 0.76 GSK3B (0.56) P4HTMRAB9AKDM4EALDH1A1L3MBTL1

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