SCHEMBL7621297

SCHEMBL7621297

CCOC(=O)CCN(CCCOC)C(=O)C(C)=Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 10/20 0.65
F2 P00734 5/20 0.65
KLK1 P06870 4/20 0.65
TMPRSS15 P98073 11/20 0.51
KMT2A Q03164 4/20 0.40
KDM4E B2RXH2 3/20 0.40
MAPT P10636 3/20 0.40
HSP90AA1 P07900 2/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 1/20 0.40
SLC22A2 O15244 1/20 0.38
TMPRSS2 O15393 1/20 0.38
F10 P00742 1/20 0.38
PLG P00747 1/20 0.38
F12 P00748 1/20 0.38
PLAU P00749 1/20 0.38
PLAT P00750 1/20 0.38
KLKB1 P03952 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
SCHEMBL7621301 1.00 PRSS1 (0.65) PRSS1F2KLK1TMPRSS15KMT2A
Hydrochloric Acid SCHEMBL8610706 0.99 PRSS1 (0.64) PRSS1F2KLK1TMPRSS15KMT2A
Hydrochloric Acid SCHEMBL8610704 0.99 PRSS1 (0.64) PRSS1F2KLK1TMPRSS15KMT2A
Acetic Acid SCHEMBL8982105 0.98 PRSS1 (0.63) PRSS1F2KLK1TMPRSS15KMT2A
Acetic Acid SCHEMBL8982109 0.93 PRSS1 (0.65) PRSS1F2KLK1TMPRSS15KMT2A
SCHEMBL3240236 0.93 PRSS1 (0.73) PRSS1F2KLK1TMPRSS15KMT2A
SCHEMBL8606708 0.92 PRSS1 (0.73) PRSS1F2KLK1TMPRSS15KMT2A
SCHEMBL8606705 0.92 PRSS1 (0.73) PRSS1F2KLK1TMPRSS15KMT2A
Acetic Acid SCHEMBL8609048 0.91 PRSS1 (0.71) PRSS1F2KLK1TMPRSS15KMT2A
SCHEMBL3238353 0.90 PRSS1 (0.70) PRSS1F2KLK1TMPRSS15KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6388122-B1 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES ONO PHARMACEUTICAL CO., LTD. (JP) 2002-05-14 US claimed
EP-0656349-B1 Amidinophenol derivatives having phospholipase A2 inhibitory activity ONO PHARMACEUTICAL CO (JP) 1998-04-08 EP claimed
US-5514713-A Amidinophenol derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1996-05-07 US claimed
EP-0656349-A1 Amidinophenol derivatives having phospholipase A2 inhibitory activity ONO PHARMACEUTICAL CO., LTD. (JP) 1995-06-07 EP claimed
US-6388122-B1 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES ONO PHARMACEUTICAL CO., LTD. (JP) 2002-05-14 US disclosed