SCHEMBL8318299

SCHEMBL8318299

O=C(O)COc1ccc(C(=O)CNC(=O)c2cc3c(s2)CCNC3)cc1COc1cccnc1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.69
ITGA2B P08514 12/20 0.69
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37
PNMT P11086 2/20 0.34
PPARD Q03181 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
ALOX12 P18054 1/20 0.32
MAPK14 Q16539 1/20 0.32
ROCK2 O75116 1/20 0.32

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 SCHEMBL8318794 0.96 ITGB3 (0.64) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8318801 0.90 ITGB3 (0.55) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL7680039 0.82 ITGB3 (1.00) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8320720 0.81 ITGB3 (0.46) ITGB3ITGA2B
SCHEMBL8317508 0.81 ITGB3 (0.70) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8318308 0.80 ITGB3 (0.62) ITGB3ITGA2BTPSAB1TPSD1TPSG1
Trifluoroacetic Acid SCHEMBL8318810 0.78 ITGB3 (0.65) ITGB3ITGA2BTPSAB1TPSD1TPSG1
Trifluoroacetic Acid SCHEMBL8556044 0.78 ITGB3 (0.90) ITGB3ITGA2BTPSAB1TPSD1TPSG1
Trifluoroacetic Acid SCHEMBL8558553 0.77 ITGB3 (0.78) ITGB3ITGA2BTPSAB1TPSD1TPSG1
Trifluoroacetic Acid SCHEMBL8553811 0.76 ITGB3 (0.79) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0897920-A1 NOVEL HETEROCYCLIC COMPOUNDS HAVING PLATELET AGGREGATION INHIBITORY EFFECTS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1999-02-24 EP claimed