SCHEMBL7387777

SCHEMBL7387777

COc1ccc(OCC(O)COc2cccc(C(=N)N)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 10/20 0.63
PRSS2 P07478 2/20 0.63
PRSS3 P35030 2/20 0.63
F2 P00734 6/20 0.56
PLG P00747 1/20 0.56
C1S P09871 1/20 0.56
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54

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
SCHEMBL7386374 0.89 PRSS1 (0.56) PRSS1PRSS2PRSS3F2PLG
SCHEMBL7388981 0.89 PRSS1 (0.70) PRSS1PRSS2PRSS3F2PLG
SCHEMBL7389290 0.86 PRSS1 (0.56) PRSS1PRSS2PRSS3F2PLG
SCHEMBL7392973 0.82 ALDH1A1 (0.63) PRSS1PRSS2PRSS3F2
SCHEMBL14599541 0.81 PRSS1 (0.68) PRSS1PRSS2PRSS3F2PLG
SCHEMBL7390198 0.79 PRSS1 (0.48) PRSS1PRSS2PRSS3F2PLG
SCHEMBL428920 0.79 PRSS1 (1.00) PRSS1PRSS2PRSS3F2PLG
SCHEMBL7381007 0.78 NPC1 (0.59) MAPK1
Hydrochloric Acid SCHEMBL23541004 0.77 PRSS1 (0.96) PRSS1PRSS2PRSS3F2
Hydrochloric Acid SCHEMBL427173 0.77 PRSS1 (0.96) PRSS1PRSS2PRSS3F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1056743-A1 BENZAMINE DERIVATIVES MERCK PATENT GmbH (DE) 2000-12-06 EP disclosed
WO-1999031092-A1 BENZAMINE DERIVATIVES MERCK PATENT GMBH (DE) 1999-06-24 WO disclosed