SCHEMBL9710703

SCHEMBL9710703

CC(C)(C)OC(C[C@](N)(C(=O)N[C@@H](Cc1ccc(C(=N)N)cc1)C(=O)O)S(=O)(=O)c1ccc2ccccc2c1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.46
▸ F2 P00734 3/20 0.45
▸ ITGB3 P05106 6/20 0.44
▸ ITGA2B P08514 6/20 0.44
▸ PRSS1 P07477 2/20 0.40
▸ TMPRSS15 P98073 2/20 0.40
▸ PLG P00747 4/20 0.39
▸ F10 P00742 1/20 0.39
▸ HPN P05981 1/20 0.39
▸ TMPRSS6 Q8IU80 2/20 0.39

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
SCHEMBL9710680 0.90 F10 (0.51) F2PRSS1PLGF10HPN
Hydrochloric Acid SCHEMBL9710621 0.84 CA2 (0.51) CA2F2ITGB3ITGA2BPRSS1
SCHEMBL9710523 0.84 CA2 (0.50) CA2F2ITGB3ITGA2BPRSS1
Hydrochloric Acid SCHEMBL9710624 0.80 F2 (0.47) CA2F2ITGB3ITGA2BPRSS1
SCHEMBL8954951 0.76 PLG (0.51) F2PLGF10HPN
SCHEMBL9710492 0.75 F10 (0.48) F2PRSS1F10
Iodide SCHEMBL9710506 0.74 F10 (0.48) F2PRSS1F10
SCHEMBL9710610 0.74 F10 (0.57) F2PRSS1PLGF10
Hydrochloric Acid SCHEMBL9710860 0.74 F10 (0.56) F2PRSS1PLGF10
SCHEMBL9710389 0.74 F2 (0.70) F2ITGB3ITGA2BPLGF10

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
WO-1992016549-A1 PARASUBSTITUTED PHENYLALANINE DERIVATES PENTAPHARM AG (CH) 1992-10-01 — — WO disclosed
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