SCHEMBL7274350

SCHEMBL7274350

COC(=O)CCc1ccc(NCCO)c(OC)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.48
OR51E2 Q9H255 1/20 0.48
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
MAPT P10636 2/20 0.44
GAA P10253 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
PDE4D Q08499 1/20 0.42

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
SCHEMBL7275654 0.85 CYP4F2 (0.43) ALOX5OR51E2MAPTGAA
SCHEMBL7273477 0.84 PTPN1 (0.41) MEN1KMT2ACA12CA2CA9
SCHEMBL7273648 0.84 PTPN1 (0.41) MEN1KMT2AMAPTGAA
SCHEMBL7275304 0.82 PTPN1 (0.40) ALOX5OR51E2KMT2AMAPTGAA
SCHEMBL3940302 0.79 KMT2A (0.59) ALOX5OR51E2MEN1KMT2AMAPT
SCHEMBL18744079 0.77 ALOX5 (0.55) ALOX5OR51E2MEN1KMT2AMAPT
Dihydroferulic Acid Methyl Ester SCHEMBL490876 0.77 ALOX5 (0.77) ALOX5OR51E2GAA
SCHEMBL7272597 0.77 CYP4A11 (0.51) KMT2AMAPTCA12CA9
SCHEMBL8910707 0.76 KDM4E (0.39) MAPTGAA
SCHEMBL16294204 0.76 ALOX5 (0.54) ALOX5OR51E2MEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5650424-A ANTIAGGLOMERANTS USING IMIDAZOLIDINDIONES DR. KARL THOMAE GMBH (DE) 1997-07-22 US disclosed
EP-0503548-B1 Cyclic urea derivatives, medicaments contaning them and process for their preparation THOMAE GMBH DR K (DE) 1997-06-04 EP disclosed
US-5478942-A Antiinflammatory agents, antiagglomerants KARL THOMAE GMBH (DE) 1995-12-26 US disclosed
US-5276049-A Treatment of thrombosis DR. KARL THOMAE GMBH (DE) 1994-01-04 US disclosed
EP-0503548-A1 Cyclic urea derivatives, medicaments contaning them and process for their preparation Dr. Karl Thomae GmbH (DE) 1992-09-16 EP disclosed