SCHEMBL8556795

SCHEMBL8556795

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 5/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 2/20 0.39
GPR119 Q8TDV5 2/20 0.38
HTT P42858 2/20 0.37
GCK P35557 1/20 0.37
PRMT5 O14744 3/20 0.36
ESR2 Q92731 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
YAP1 P46937 1/20 0.36
TLR9 Q9NR96 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
CRHBP P24387 1/20 0.35
KMT2A Q03164 1/20 0.35
CRHR2 Q13324 1/20 0.35
HSD17B10 Q99714 1/20 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
SCHEMBL8556263 0.84 P2RX3 (0.42) P2RX3MAPTKDM4EGPR119HTT
SCHEMBL8558433 0.72 F2 (0.41) P2RX3MAPTKDM4EGPR119HTT
SCHEMBL8557673 0.70 ESR2 (0.48) MAPTKDM4EGPR119ESR2
SCHEMBL20645631 0.69 ESR2 (0.47) MAPTKDM4EGCKESR2RAB9A
SCHEMBL8556787 0.69 ESR2 (0.51) MAPTKDM4EESR2
SCHEMBL15166578 0.68 GCK (0.51) P2RX3MAPTGPR119GCKPRMT5
SCHEMBL18549875 0.68 PRMT5 (0.51) MAPTGPR119GCKPRMT5ESR2
SCHEMBL19531664 0.68 ESR2 (0.52) MAPTKDM4EHTTESR2RAB9A
SCHEMBL8558435 0.67 TPSAB1 (0.40) MAPTGPR119GCK
SCHEMBL18549880 0.66 PRMT5 (0.49) GPR119GCKPRMT5ESR2YAP1

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-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