SCHEMBL7312830

SCHEMBL7312830

CCOC(=O)CN(CC(C(=O)OCc1ccccc1)c1ccccc1)C(=O)/C(C)=C/c1ccc(C(=O)Oc2ccc(C(=N)N)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 16/20 0.64
F2 P00734 5/20 0.64
KLK1 P06870 4/20 0.64
TMPRSS15 P98073 12/20 0.45
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HSP90AA1 P07900 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
F10 P00742 1/20 0.37

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
SCHEMBL7312838 1.00 PRSS1 (0.64) PRSS1F2KLK1TMPRSS15KDM4E
SCHEMBL7313716 0.98 PRSS1 (0.64) PRSS1F2KLK1TMPRSS15KDM4E
SCHEMBL7313722 0.98 PRSS1 (0.64) PRSS1F2KLK1TMPRSS15KDM4E
SCHEMBL7304207 0.95 PRSS1 (0.69) PRSS1F2KLK1TMPRSS15KDM4E
SCHEMBL7304204 0.95 PRSS1 (0.69) PRSS1F2KLK1TMPRSS15KDM4E
SCHEMBL3242306 0.85 PRSS1 (0.75) PRSS1F2KLK1TMPRSS15KDM4E
Hydrochloric Acid SCHEMBL7312895 0.85 PRSS1 (0.73) PRSS1F2KLK1TMPRSS15KDM4E
Hydrochloric Acid SCHEMBL7312900 0.85 PRSS1 (0.73) PRSS1F2KLK1TMPRSS15KDM4E
SCHEMBL3243922 0.84 PRSS1 (0.77) PRSS1F2KLK1TMPRSS15KDM4E
SCHEMBL3237750 0.84 PRSS1 (0.80) PRSS1F2KLK1TMPRSS15KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5622984-A INHIBITORS OF PHOSPHOLIPASE, VARIOUS PROTEASES ONO PHARMACEUTICAL COMPANY, LIMITED (JP) 1997-04-22 US disclosed
US-5614555-A Amidinophenol derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1997-03-25 US disclosed
EP-0588655-B1 Amidinophenol derivatives ONO PHARMACEUTICAL CO (JP) 1996-12-04 EP disclosed
EP-0588655-A1 Amidinophenol derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1994-03-23 EP disclosed