SCHEMBL8558560

SCHEMBL8558560

O=C(O)COc1ccc(C(=O)CNC(=O)c2cc3c(s2)CCNC3)cc1OC(=O)C(F)(F)F

nearest known ligand 0.82

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.82
ITGA2B P08514 12/20 0.82
PNMT P11086 2/20 0.40
TPSAB1 Q15661 1/20 0.39
TPSD1 Q9BZJ3 1/20 0.39
TPSG1 Q9NRR2 1/20 0.39
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SCD O00767 1/20 0.32
POLB P06746 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 SCHEMBL8556044 0.93 ITGB3 (0.90) ITGB3ITGA2BPNMTTPSAB1TPSD1
SCHEMBL7680039 0.91 ITGB3 (1.00) ITGB3ITGA2BPNMTTPSAB1TPSD1
Trifluoroacetic Acid SCHEMBL8555282 0.89 ITGB3 (0.75) ITGB3ITGA2BPNMTTPSAB1TPSD1
Trifluoroacetic Acid SCHEMBL8554757 0.88 ITGB3 (0.90) ITGB3ITGA2BPNMTTPSAB1TPSD1
Trifluoroacetic Acid SCHEMBL8558553 0.88 ITGB3 (0.78) ITGB3ITGA2BPNMTTPSAB1TPSD1
Trifluoroacetic Acid SCHEMBL8558868 0.87 ITGB3 (0.80) ITGB3ITGA2BPNMTTPSAB1TPSD1
Trifluoroacetic Acid SCHEMBL8553811 0.87 ITGB3 (0.79) ITGB3ITGA2BPNMTTPSAB1TPSD1
Trifluoroacetic Acid SCHEMBL8553208 0.86 ITGB3 (0.90) ITGB3ITGA2BTPSAB1TPSD1TPSG1
Trifluoroacetic Acid SCHEMBL8557188 0.86 ITGB3 (0.78) ITGB3ITGA2BPNMTTPSAB1TPSD1
SCHEMBL8555288 0.86 ITGB3 (0.65) 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