SCHEMBL8525704

SCHEMBL8525704

COc1ccc(C(C(=O)N(Cc2ccc(CNC(N)=O)cc2)[C@H](Cc2cccc(C(=N)N)c2)C(N)=O)c2ccc(OC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.44
F2 P00734 8/20 0.39
PRSS1 P07477 4/20 0.39
PRSS2 P07478 1/20 0.39
PRSS3 P35030 1/20 0.39
F7 P08709 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
MEP1A Q16819 1/20 0.37
MEP1B Q16820 1/20 0.37
PLG P00747 1/20 0.37
PLAU P00749 1/20 0.37
ST14 Q9Y5Y6 1/20 0.37

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
SCHEMBL8526076 0.90 BMP1 (0.39) F10F2PRSS1NPC1ALDH1A1
SCHEMBL8526765 0.90 F10 (0.45) F10F2PRSS1PRSS2PRSS3
SCHEMBL1389004 0.90 F10 (0.44) F10F2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL8121834 0.89 F10 (0.43) F10F2PRSS1PRSS2PRSS3
SCHEMBL8525743 0.81 F10 (0.39) F10F2PRSS1PRSS2PRSS3
Hydrochloric Acid SCHEMBL8119799 0.80 EPHX1 (0.45) PRSS1PRSS2PRSS3
SCHEMBL8527152 0.80 PPID (0.48) F10F2PRSS1
SCHEMBL7041569 0.79 PPARG (0.39) F10F2PRSS1PLAU
SCHEMBL6900020 0.79 CASR (0.38) NPC1ALDH1A1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL8641408 0.79 PPID (0.48) F10F2PRSS1

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-0885186-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1998-12-23 EP disclosed
WO-1997019911-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1997-06-05 WO disclosed