SCHEMBL8973614

SCHEMBL8973614

CCOC(=O)CN(C(=O)/C(C)=C/c1ccc(C(=O)Oc2ccc(C(=N)N)cc2)cc1)C(CC(C)C)C(=O)OCC

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 17/20 0.65
F2 P00734 4/20 0.65
KLK1 P06870 4/20 0.65
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
HSP90AA1 P07900 1/20 0.40
HPGD P15428 1/20 0.40
TMPRSS15 P98073 12/20 0.39
ACR P10323 1/20 0.38

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
SCHEMBL8973618 1.00 PRSS1 (0.65) PRSS1F2KLK1KDM4EMEN1
SCHEMBL3236135 0.91 PRSS1 (0.67) PRSS1F2KLK1KDM4EMEN1
SCHEMBL3243498 0.91 PRSS1 (0.67) PRSS1F2KLK1KDM4EMEN1
SCHEMBL3238746 0.90 PRSS1 (0.57) PRSS1F2KLK1KDM4EMEN1
SCHEMBL3238753 0.90 PRSS1 (0.57) PRSS1F2KLK1KDM4EMEN1
SCHEMBL3240081 0.89 PRSS1 (0.69) PRSS1F2KLK1KDM4EMEN1
SCHEMBL3237730 0.89 PRSS1 (0.71) PRSS1F2KLK1KDM4EMEN1
SCHEMBL3245875 0.88 PRSS1 (0.70) PRSS1F2KLK1KDM4EMEN1
SCHEMBL7314431 0.88 PRSS1 (0.70) PRSS1F2KLK1KDM4EMEN1
SCHEMBL3245566 0.85 PRSS1 (0.68) PRSS1F2KLK1KDM4EMEN1

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-0703216-A1 Amidinophenol derivatives as protease inhibitors ONO PHARMACEUTICAL CO., LTD. (JP) 1996-03-27 EP claimed