SCHEMBL8885229

SCHEMBL8885229

COC(=O)C1CCC(N(C)C(=O)c2cc(-c3ccc(C(=N)N)cc3)ccc2O)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 9/20 0.40
F10 P00742 4/20 0.40
PLAU P00749 3/20 0.40
PLAT P00750 3/20 0.40
PRSS1 P07477 3/20 0.37
PRSS2 P07478 3/20 0.37
PRSS3 P35030 3/20 0.37
ST14 Q9Y5Y6 3/20 0.37
PLG P00747 2/20 0.37
TMPRSS15 P98073 4/20 0.36
MELK Q14680 2/20 0.36
FASN P49327 4/20 0.34

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
SCHEMBL8886068 0.89 PDE4A (0.40) F2F10PRSS1PRSS2PRSS3
SCHEMBL9185327 0.89 ITGB3 (0.38) F2F10PLAUPLATPRSS1
Hydrochloric Acid SCHEMBL8887529 0.86 F2 (0.45) F2F10PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL8887677 0.84 F2 (0.37) F2PRSS1PLGMELK
SCHEMBL8885472 0.82 EGLN1 (0.38) MELKFASN
SCHEMBL8407959 0.81 F2 (0.48) F2F10PLAUPLATPRSS1
Hydrochloric Acid SCHEMBL8949125 0.80 F2 (0.37) F2F10PRSS1PRSS2PRSS3
SCHEMBL8886191 0.80 PDE4A (0.41) F2F10PRSS1PRSS2PRSS3
SCHEMBL8949363 0.79 TMPRSS15 (0.43) F2F10PRSS1PRSS2PRSS3
SCHEMBL8949356 0.79 TMPRSS15 (0.43) F2F10PRSS1PRSS2PRSS3

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
US-5597825-A AGGREGATION INHIBITORS DR. KARL THOMAE GMBH (DE) 1997-01-28 US disclosed
EP-0496378-B1 Biphenylderivatives, drugs containing these compounds and processes for their preparation THOMAE GMBH DR K (DE) 1995-09-20 EP disclosed
EP-0496378-A1 Biphenylderivatives, drugs containing these compounds and processes for their preparation Dr. Karl Thomae GmbH (DE) 1992-07-29 EP disclosed