SCHEMBL8982104

SCHEMBL8982104

CCOCCCN(CC(=O)O)C(=O)C(C)=Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 16/20 0.70
F2 P00734 4/20 0.70
KLK1 P06870 4/20 0.70
TMPRSS15 P98073 14/20 0.59
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HSP90AA1 P07900 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 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
SCHEMBL3237626 0.91 PRSS1 (0.75) PRSS1F2KLK1TMPRSS15
SCHEMBL3231199 0.89 PRSS1 (0.72) PRSS1F2KLK1TMPRSS15
SCHEMBL7314578 0.89 PRSS1 (0.77) PRSS1F2KLK1TMPRSS15KDM4E
SCHEMBL3237686 0.89 PRSS1 (0.77) PRSS1F2KLK1TMPRSS15KDM4E
SCHEMBL3231286 0.87 PRSS1 (0.80) PRSS1F2KLK1TMPRSS15KDM4E
SCHEMBL3238401 0.86 PRSS1 (0.71) PRSS1F2KLK1TMPRSS15KDM4E
Acetic Acid SCHEMBL8609048 0.85 PRSS1 (0.71) PRSS1F2KLK1TMPRSS15KDM4E
SCHEMBL3237750 0.85 PRSS1 (0.80) PRSS1F2KLK1TMPRSS15KDM4E
SCHEMBL8606708 0.85 PRSS1 (0.73) PRSS1F2KLK1TMPRSS15KDM4E
SCHEMBL8606705 0.85 PRSS1 (0.73) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5514713-A Amidinophenol derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1996-05-07 US disclosed