SCHEMBL8558568

SCHEMBL8558568

O=C(COc1ccc(C(=O)CNC(=O)c2cc3c(s2)CCNC3)cc1O)OC(=O)C(F)(F)F

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.67
ITGA2B P08514 12/20 0.67
PNMT P11086 2/20 0.39
TPSAB1 Q15661 1/20 0.38
TPSD1 Q9BZJ3 1/20 0.38
TPSG1 Q9NRR2 1/20 0.38
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30

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 SCHEMBL8558553 0.90 ITGB3 (0.78) ITGB3ITGA2BPNMTTPSAB1TPSD1
SCHEMBL8558875 0.89 ITGB3 (0.69) ITGB3ITGA2BPNMTTPSAB1TPSD1
SCHEMBL8557196 0.89 ITGB3 (0.69) ITGB3ITGA2BPNMTTPSAB1TPSD1
SCHEMBL8557633 0.89 ITGB3 (0.76) ITGB3ITGA2BPNMTTPSAB1TPSD1
SCHEMBL8553813 0.87 ITGB3 (0.69) ITGB3ITGA2BPNMTTPSAB1TPSD1
SCHEMBL8555288 0.87 ITGB3 (0.65) ITGB3ITGA2BPNMTTPSAB1TPSD1
SCHEMBL8558560 0.84 ITGB3 (0.82) ITGB3ITGA2BPNMTTPSAB1TPSD1
SCHEMBL8318813 0.84 ITGB3 (0.56) ITGB3ITGA2BPNMTTPSAB1TPSD1
SCHEMBL8318801 0.83 ITGB3 (0.55) ITGB3ITGA2BPNMTTPSAB1TPSD1
Trifluoroacetic Acid SCHEMBL8556044 0.83 ITGB3 (0.90) ITGB3ITGA2BPNMTTPSAB1TPSD1

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