SCHEMBL8557633

SCHEMBL8557633

O=C(COc1ccc(C(=O)CNC(=O)c2cc3c(s2)CCNC3)cc1)OC(=O)C(F)(F)F

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.76
ITGA2B P08514 10/20 0.76
TPSAB1 Q15661 1/20 0.48
TPSD1 Q9BZJ3 1/20 0.48
TPSG1 Q9NRR2 1/20 0.48
PNMT P11086 2/20 0.41
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
F10 P00742 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 SCHEMBL8557628 0.89 ITGB3 (0.89) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8558568 0.89 ITGB3 (0.67) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8553928 0.86 ITGB3 (0.73) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8555207 0.86 ITGB3 (0.56) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8558875 0.85 ITGB3 (0.69) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8557196 0.85 ITGB3 (0.69) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8555288 0.84 ITGB3 (0.65) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8553813 0.84 ITGB3 (0.69) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8318801 0.82 ITGB3 (0.55) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8555657 0.81 ITGB3 (0.55) 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