SCHEMBL8846583

SCHEMBL8846583

CCOC(=O)[C@H](CCC(=O)OCc1ccccc1)NC(=O)C(C)=Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 16/20 0.49
TMPRSS15 P98073 12/20 0.49
F2 P00734 4/20 0.49
KLK1 P06870 4/20 0.49
ITGB3 P05106 3/20 0.43
ITGA2B P08514 3/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HSP90AA1 P07900 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42

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
Acetic Acid SCHEMBL8903078 0.99 PRSS1 (0.49) PRSS1TMPRSS15F2KLK1ITGB3
Acetic Acid SCHEMBL8904308 0.97 PRSS1 (0.49) PRSS1TMPRSS15F2KLK1ITGB3
SCHEMBL3242403 0.92 PRSS1 (0.51) PRSS1TMPRSS15F2KLK1KDM4E
SCHEMBL3238646 0.89 PRSS1 (0.53) PRSS1TMPRSS15F2KLK1KDM4E
SCHEMBL3238801 0.89 PRSS1 (0.53) PRSS1TMPRSS15F2KLK1KDM4E
SCHEMBL3238704 0.89 PRSS1 (0.56) PRSS1TMPRSS15F2KLK1KDM4E
SCHEMBL3243407 0.88 PRSS1 (0.54) PRSS1TMPRSS15F2KLK1KDM4E
SCHEMBL3240607 0.88 PRSS1 (0.54) PRSS1TMPRSS15F2KLK1KDM4E
SCHEMBL3245015 0.87 PRSS1 (0.53) PRSS1TMPRSS15F2KLK1KDM4E
SCHEMBL7522411 0.84 PRSS1 (0.52) PRSS1TMPRSS15F2KLK1KDM4E

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
US-5614555-A Amidinophenol derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1997-03-25 US disclosed