SCHEMBL7311244

SCHEMBL7311244

C=CCN(CC(=O)OCC)C(=O)C(C)=Cc1ccc(C(=O)Oc2ccc(C(=N)N)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 14/20 1.00
▸ F2 P00734 5/20 1.00
▸ KLK1 P06870 4/20 1.00
▸ TMPRSS15 P98073 11/20 0.46
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ HSP90AA1 P07900 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ ACR P10323 1/20 0.39
▸ SLC22A2 O15244 1/20 0.36
▸ TMPRSS2 O15393 1/20 0.36
▸ F10 P00742 1/20 0.36
▸ PLG P00747 1/20 0.36
▸ F12 P00748 1/20 0.36
▸ PLAU P00749 1/20 0.36
▸ PLAT P00750 1/20 0.36
▸ KLKB1 P03952 1/20 0.36

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
SCHEMBL3245051 1.00 PRSS1 (1.00) PRSS1F2KLK1TMPRSS15MEN1
Acetic Acid SCHEMBL7311943 0.98 PRSS1 (0.96) PRSS1F2KLK1TMPRSS15MEN1
Acetic Acid SCHEMBL7312877 0.98 PRSS1 (0.96) PRSS1F2KLK1TMPRSS15MEN1
SCHEMBL1650235 0.96 PRSS1 (1.00) PRSS1F2KLK1TMPRSS15MEN1
SCHEMBL7189652 0.93 PRSS1 (0.88) PRSS1F2KLK1TMPRSS15MEN1
SCHEMBL7189654 0.93 PRSS1 (0.88) PRSS1F2KLK1TMPRSS15MEN1
SCHEMBL7191629 0.92 PRSS1 (0.85) PRSS1F2KLK1TMPRSS15MEN1
SCHEMBL7191624 0.92 PRSS1 (0.85) PRSS1F2KLK1TMPRSS15MEN1
SCHEMBL20008637 0.91 PRSS1 (0.84) PRSS1F2KLK1TMPRSS15MEN1
SCHEMBL3245689 0.91 PRSS1 (0.83) PRSS1F2KLK1TMPRSS15MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0588655-B1 Amidinophenol derivatives ONO PHARMACEUTICAL CO (JP) 1996-12-04 — — EP claimed
EP-0588655-A1 Amidinophenol derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1994-03-23 — — EP claimed
US-6388122-B1 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES ONO PHARMACEUTICAL CO., LTD. (JP) 2002-05-14 — — US disclosed
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