SCHEMBL8556263

SCHEMBL8556263

COc1ccc(COc2ccc(-c3csc(C(=O)c4cc5c(s4)CCN(C(=O)OC(C)(C)C)C5)n3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 5/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.41
ENPP2 Q13822 1/20 0.40
GPR119 Q8TDV5 2/20 0.39
HTT P42858 2/20 0.38
GCK P35557 1/20 0.38
PRMT5 O14744 3/20 0.37
ESR2 Q92731 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TLR9 Q9NR96 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
CRHBP P24387 1/20 0.36
KMT2A Q03164 1/20 0.36
CRHR2 Q13324 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL8558433 0.88 F2 (0.41) P2RX3MAPTKDM4EENPP2GPR119
SCHEMBL8557673 0.87 ESR2 (0.48) MAPTKDM4EENPP2GPR119ESR2
SCHEMBL8556795 0.84 P2RX3 (0.41) P2RX3MAPTKDM4EGPR119HTT
SCHEMBL8558435 0.81 TPSAB1 (0.40) MAPTENPP2GPR119GCK
SCHEMBL18549875 0.69 PRMT5 (0.51) MAPTGPR119GCKPRMT5ESR2
SCHEMBL15166578 0.69 GCK (0.51) P2RX3MAPTGPR119GCKPRMT5
SCHEMBL978284 0.69 HDAC6 (0.59) MAPTKDM4EPRMT5ESR2RAB9A
SCHEMBL1174513 0.68 HDAC6 (0.72) MAPTKDM4EPRMT5ESR2
SCHEMBL743782 0.68 HDAC6 (0.54) MAPTKDM4EPRMT5ESR2ALDH1A1
SCHEMBL8555269 0.68 HDAC6 (0.54) MAPTKDM4EESR2

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-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