SCHEMBL860143

SCHEMBL860143

CC(=O)N(O)C(=N)c1ccc(Oc2cc(Oc3ccc(C(=N)N(O)C(C)=O)cc3)cc(C(=O)N3CCc4ccccc4C3)c2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.71
PLG P00747 1/20 0.71
PRSS1 P07477 1/20 0.71
PRSS2 P07478 1/20 0.71
PRSS3 P35030 1/20 0.71
ST14 Q9Y5Y6 1/20 0.71
HPGD P15428 10/20 0.47
ALDH1A1 P00352 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HSP90AA1 P07900 2/20 0.45
HSP90AB1 P08238 2/20 0.45
TP53 P04637 2/20 0.45
NPC1 O15118 1/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C19 P33261 2/20 0.44
HTT P42858 2/20 0.44
CYP2C9 P11712 1/20 0.44
NOTUM Q6P988 1/20 0.43
LMNA P02545 2/20 0.43
CA1 P00915 1/20 0.43

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
SCHEMBL860152 0.83 PRSS1 (1.00) F2PLGPRSS1PRSS2PRSS3
SCHEMBL851919 0.78 ALDH1A1 (0.56) F2PLGPRSS1PRSS2PRSS3
SCHEMBL850443 0.75 PRSS1 (0.71) F2PLGPRSS1PRSS2PRSS3
SCHEMBL30260147 0.72 HPGD (0.69) HPGDALDH1A1SMN1; SMN2NPC1CYP3A4
SCHEMBL13302265 0.72 HPGD (0.69) HPGDALDH1A1SMN1; SMN2NPC1CYP3A4
SCHEMBL860509 0.71 PRSS1 (0.52) F2PLGPRSS1PRSS2PRSS3
SCHEMBL851286 0.70 PRSS1 (0.53) F2PLGPRSS1PRSS2PRSS3
SCHEMBL3791583 0.69 HPGD (0.42) F2PLGPRSS1PRSS2PRSS3
SCHEMBL851791 0.69 PDE4A (0.43) F2PRSS1PRSS2PRSS3ST14
SCHEMBL860519 0.68 F2 (0.57) F2PLGPRSS1PRSS2PRSS3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2432556-A1 PROTEASE INHIBITORS Orion Corporation (FI) 2012-03-28 EP disclosed
WO-2010133748-A1 PROTEASE INHIBITORS ORION CORPORATION (FI) 2010-11-25 WO disclosed