SCHEMBL5573473

SCHEMBL5573473

C=CCN(C(=O)/C(C)=C/c1ccc(C(=O)Oc2ccc(C(=N)N)cc2)cc1)[C@@H](C)CC(=O)OCC

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 15/20 0.72
F2 P00734 6/20 0.72
KLK1 P06870 4/20 0.72
KDM4E B2RXH2 2/20 0.40
MEN1 O00255 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
HSP90AA1 P07900 1/20 0.40
HPGD P15428 1/20 0.40
TMPRSS15 P98073 10/20 0.38
F10 P00742 1/20 0.38
ACR P10323 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
SCHEMBL3238499 0.91 PRSS1 (0.71) PRSS1F2KLK1KDM4EMEN1
SCHEMBL3240141 0.91 PRSS1 (0.71) PRSS1F2KLK1KDM4EMEN1
SCHEMBL3233206 0.90 PRSS1 (0.70) PRSS1F2KLK1KDM4EMEN1
SCHEMBL3245116 0.90 PRSS1 (0.72) PRSS1F2KLK1KDM4EMEN1
SCHEMBL3245124 0.89 PRSS1 (0.73) PRSS1F2KLK1KDM4EMEN1
SCHEMBL3237996 0.86 PRSS1 (0.69) PRSS1F2KLK1KDM4EMEN1
SCHEMBL3237989 0.86 PRSS1 (0.69) PRSS1F2KLK1KDM4EMEN1
SCHEMBL7311244 0.84 PRSS1 (1.00) PRSS1F2KLK1KDM4EMEN1
SCHEMBL3245051 0.84 PRSS1 (1.00) PRSS1F2KLK1KDM4EMEN1
SCHEMBL3237730 0.84 PRSS1 (0.71) PRSS1F2KLK1KDM4EMEN1

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
EP-1815865-A1 THERAPEUTIC AGENT FOR DIABETES COMPRISING PROTEASE-INHIBITING COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2007-08-08 EP disclosed