SCHEMBL7305345

SCHEMBL7305345

CC(C)(C)OC(=O)CCC(=O)NCc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)o1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 19/20 0.47
TMPRSS15 P98073 19/20 0.47
F12 P00748 1/20 0.43

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
Hydrochloric Acid SCHEMBL7287535 0.99 PRSS1 (0.47) PRSS1TMPRSS15F12
Bromide SCHEMBL7286080 0.99 PRSS1 (0.47) PRSS1TMPRSS15F12
Hydrochloric Acid SCHEMBL7278237 0.96 PRSS1 (0.47) PRSS1TMPRSS15F12
Hydrochloric Acid SCHEMBL7288475 0.94 PRSS1 (0.46) PRSS1TMPRSS15F12
Hydrochloric Acid SCHEMBL7288868 0.90 PRSS1 (0.49) PRSS1TMPRSS15F12
Hydrochloric Acid SCHEMBL7278241 0.88 PRSS1 (0.44) PRSS1TMPRSS15
Hydrochloric Acid SCHEMBL7286666 0.87 PRSS1 (0.52) PRSS1TMPRSS15F12
Hydrochloric Acid SCHEMBL7286327 0.87 PRSS1 (0.48) PRSS1TMPRSS15F12
Bromide SCHEMBL7276348 0.86 PRSS1 (0.59) PRSS1TMPRSS15
Hydrochloric Acid SCHEMBL7284772 0.86 PRSS1 (0.59) PRSS1TMPRSS15

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-0556024-A1 Novel amidinonaphthyl furancarboxylate derivatives and acid addition salts thereof TORII & CO., LTD. (JP) 1993-08-18 EP disclosed