SCHEMBL8558433

SCHEMBL8558433

CC(C)(C)OC(=O)COc1ccc(-c2csc(C(=O)c3cc4c(s3)CCN(C(=O)OC(C)(C)C)C4)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.41
TPSAB1 Q15661 1/20 0.41
TPSD1 Q9BZJ3 1/20 0.41
TPSG1 Q9NRR2 1/20 0.41
HDAC6 Q9UBN7 1/20 0.38
GPR119 Q8TDV5 2/20 0.38
ESR2 Q92731 1/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
NR1H2 P55055 1/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
GRAMD1A Q96CP6 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 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
SCHEMBL8558435 0.93 TPSAB1 (0.40) F2TPSAB1TPSD1TPSG1HDAC6
SCHEMBL8556263 0.88 P2RX3 (0.42) GPR119ESR2MAPTKDM4EMEN1
SCHEMBL8557673 0.88 ESR2 (0.48) HDAC6GPR119ESR2MAPTKDM4E
SCHEMBL8558878 0.77 TPSAB1 (0.46) F2TPSAB1TPSD1TPSG1HDAC6
SCHEMBL8558884 0.76 ITGB3 (0.53) F2TPSAB1TPSD1TPSG1HDAC6
SCHEMBL8555620 0.73 ITGB3 (0.55) F2TPSAB1TPSD1TPSG1HDAC6
SCHEMBL8557675 0.73 PRMT5 (0.45) F2TPSAB1TPSD1TPSG1HDAC6
SCHEMBL8556795 0.72 P2RX3 (0.41) GPR119ESR2MAPTKDM4EMEN1
SCHEMBL8556021 0.71 F2 (0.41) F2TPSAB1TPSD1TPSG1HDAC6
SCHEMBL8556028 0.71 PRMT5 (0.43) F2TPSAB1TPSD1TPSG1HDAC6

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