SCHEMBL8557311

SCHEMBL8557311

CCOC(=O)COc1cc(C(=O)C(N)C(=O)c2cc3c(s2)CCN(C(=O)OC(C)(C)C)C3)ccc1OCC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 1/20 0.38
NR1H2 P55055 1/20 0.37
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 2/20 0.35
ESR2 Q92731 1/20 0.35
KDM4E B2RXH2 2/20 0.35
F2 P00734 1/20 0.35
TPSAB1 Q15661 1/20 0.35
TPSD1 Q9BZJ3 1/20 0.35
TPSG1 Q9NRR2 1/20 0.35
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GLA P06280 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL8556840 0.90 ESR2 (0.40) ADORA1NR1H2MAPTESR2KDM4E
SCHEMBL8558315 0.88 NR1H2 (0.35) ADORA1NR1H2MAPTESR2KDM4E
SCHEMBL8558878 0.86 TPSAB1 (0.46) ADORA1NR1H2MAPTESR2KDM4E
SCHEMBL8557314 0.84 ITGB3 (0.51) ADORA1MAPTLMNANPSR1HDAC6
SCHEMBL8556021 0.84 F2 (0.41) ADORA1NR1H2MAPTESR2KDM4E
SCHEMBL7834582 0.75 ITGB3 (0.47) NR1H2MAPTLMNAESR2KDM4E
SCHEMBL1174301 0.74 ADORA1 (0.57) ADORA1NR1H2MAPTLMNANPSR1
SCHEMBL8558319 0.74 ITGB3 (0.48) NR1H2ESR2BRD4CREBBPHDAC6
SCHEMBL8556843 0.74 ITGB3 (0.48) NR1H2ESR2HDAC6PRMT5WDR77
SCHEMBL8553064 0.73 ITGB3 (0.62) HDAC6HTTSMN1; SMN2PRMT5WDR77

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