SCHEMBL8555657

SCHEMBL8555657

O=C(COc1ccc(C(O)CNC(=O)c2cc3c(s2)CCNC3)nc1)OC(=O)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.55
ITGA2B P08514 8/20 0.55
TPSAB1 Q15661 1/20 0.43
TPSD1 Q9BZJ3 1/20 0.43
TPSG1 Q9NRR2 1/20 0.43
PNMT P11086 2/20 0.38
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PRMT5 O14744 4/20 0.31
WDR77 Q9BQA1 4/20 0.31
RAB9A P51151 1/20 0.31

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
Trifluoroacetic Acid SCHEMBL8555649 0.89 ITGB3 (0.66) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8555654 0.84 ITGB3 (0.64) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8557633 0.81 ITGB3 (0.76) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8555207 0.81 ITGB3 (0.56) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8318658 0.81 ITGB3 (0.48) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8320414 0.80 ITGB3 (0.47) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8558568 0.74 ITGB3 (0.67) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8318801 0.73 ITGB3 (0.55) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8557675 0.71 PRMT5 (0.45) TPSAB1TPSD1TPSG1PRMT5WDR77
SCHEMBL8557196 0.71 ITGB3 (0.69) ITGB3ITGA2BTPSAB1TPSD1TPSG1

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