SCHEMBL8315797

SCHEMBL8315797

CN(CC(Oc1cccnc1)c1ccc(OCC(=O)O)c(OCC(=O)O)c1)C(=O)c1cc2c(s1)CCNC2

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.48
ITGA2B P08514 12/20 0.48
TPSAB1 Q15661 1/20 0.37
TPSD1 Q9BZJ3 1/20 0.37
TPSG1 Q9NRR2 1/20 0.37
PNMT P11086 2/20 0.36
PPARD Q03181 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CLK1 P49759 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
ITGA2 P17301 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 SCHEMBL8316509 0.96 ITGB3 (0.45) ITGB3ITGA2BTPSAB1TPSD1TPSG1
Trifluoroacetic Acid SCHEMBL8318197 0.88 ITGB3 (0.46) ITGB3ITGA2BTPSAB1TPSD1TPSG1
Trifluoroacetic Acid SCHEMBL8314669 0.82 ITGB3 (0.54) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8318206 0.82 TPSAB1 (0.40) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8318464 0.77 ITGB3 (0.61) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8313229 0.77 ITGB3 (0.57) ITGB3ITGA2BTPSAB1TPSD1TPSG1
Trifluoroacetic Acid SCHEMBL8318651 0.74 ITGB3 (0.56) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8319312 0.74 F2 (0.37) TPSAB1TPSD1TPSG1
Hydrochloric Acid SCHEMBL8319013 0.71 ITGB3 (0.46) ITGB3ITGA2BTPSAB1TPSD1TPSG1
SCHEMBL8313239 0.71 ITGB3 (0.62) 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