SCHEMBL8558435

SCHEMBL8558435

CC(C)COC(=O)N1CCc2sc(C(=O)c3nc(-c4ccc(OCC(=O)OC(C)(C)C)cc4)cs3)cc2C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 2/20 0.40
TPSD1 Q9BZJ3 2/20 0.40
TPSG1 Q9NRR2 2/20 0.40
F2 P00734 1/20 0.40
PPARG P37231 5/20 0.35
PPARA Q07869 5/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ENPP2 Q13822 1/20 0.34
GRAMD1A Q96CP6 1/20 0.33
MAP3K5 Q99683 3/20 0.32
GPR119 Q8TDV5 3/20 0.32
ABCB1 P08183 1/20 0.32
GCK P35557 2/20 0.32
MAPT P10636 1/20 0.32

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 0.93 F2 (0.41) TPSAB1TPSD1TPSG1F2HDAC6
SCHEMBL8556263 0.81 P2RX3 (0.42) ENPP2GPR119GCKMAPT
SCHEMBL8557673 0.81 ESR2 (0.48) HDAC6ENPP2GRAMD1AGPR119MAPT
SCHEMBL8558878 0.72 TPSAB1 (0.46) TPSAB1TPSD1TPSG1F2HDAC6
SCHEMBL8558884 0.69 ITGB3 (0.53) TPSAB1TPSD1TPSG1F2HDAC6
SCHEMBL8557675 0.68 PRMT5 (0.45) TPSAB1TPSD1TPSG1F2HDAC6
SCHEMBL8555620 0.67 ITGB3 (0.55) TPSAB1TPSD1TPSG1F2HDAC6
SCHEMBL8556795 0.67 P2RX3 (0.41) GPR119GCKMAPT
SCHEMBL8556021 0.67 F2 (0.41) TPSAB1TPSD1TPSG1F2HDAC6
SCHEMBL7467047 0.66 RAB9A (0.52) MAPT

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