SCHEMBL7272876

SCHEMBL7272876

Cc1cn(-c2ccc(CCC(=O)O)cc2)c(=O)n1-c1ccc(CN)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
PLA2G4A P47712 9/20 0.42
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
KLKB1 P03952 1/20 0.40
CTSB P07858 1/20 0.40
FFAR1 O14842 3/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL7271729 0.87 RXRA (0.38) RXRARXRBRXRG
SCHEMBL7280912 0.86 ITGB3 (0.58) RXRARXRBRXRGPLA2G4APPARD
SCHEMBL7280908 0.86 ITGB3 (0.58) RXRARXRBRXRGPLA2G4APPARD
SCHEMBL7282038 0.77 RXRA (0.45) RXRARXRBRXRGPLA2G4APPARD
SCHEMBL9744047 0.75 RXRA (0.81) RXRARXRBRXRGPLA2G4APPARD
SCHEMBL5033023 0.74 FFAR1 (0.65) FFAR1LMNAL3MBTL1
SCHEMBL7281961 0.74 ITGB3 (0.44) ITGB3ITGA2BLMNAL3MBTL1
SCHEMBL7274893 0.73 PPARD (0.45) PLA2G4APPARDPPARAFFAR1ITGB3
Hydrochloric Acid SCHEMBL7281573 0.73 ITGB3 (0.43) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL6981197 0.72 FFAR1 (0.63) FFAR1LMNAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5852192-A Cyclic urea derivatives, pharmaceutical compositions containing these compounds and processes for preparing them DR. KARL THOMAE GMBH (DE) 1998-12-22 US disclosed
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