SCHEMBL7948959

SCHEMBL7948959

CCOc1ccc(C[C@@H](C(=O)OCc2ccccc2)N(CCN(CC(=O)OCc2ccccc2)CC(=O)OCc2ccccc2)CCN(CC(=O)OCc2ccccc2)CC(=O)OCc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.46
LTA4H P09960 3/20 0.44
LAP3 P28838 1/20 0.44
MAOB P27338 3/20 0.43
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
LTB4R Q15722 1/20 0.42
LTB4R2 Q9NPC1 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.41
CA4 P22748 2/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL7505929 0.91 LTA4H (0.45) ALOX5LTA4HLAP3MAOBPPARG
SCHEMBL8390854 0.90 ITGB3 (0.49) LTA4HLAP3MAOBCA1CA2
SCHEMBL7510212 0.87 CA1 (0.46) LTA4HLAP3CA1CA2L3MBTL1
SCHEMBL7950553 0.78 ALDH1A1 (0.44) MAOBPPARGPPARA
SCHEMBL7950550 0.78 CA1 (0.41) ALOX5LTA4HCA1CA2L3MBTL1
SCHEMBL339168 0.75 ALDH1A1 (0.61) CA1CA2L3MBTL1CA4LMNA
SCHEMBL8581434 0.75 ITGB3 (0.37) LTA4HPPARGPPARALMNA
SCHEMBL2438787 0.75 LTA4H (0.60) ALOX5LTA4HLAP3MAOBPPARG
SCHEMBL8873994 0.74 ITGB3 (0.37) LTA4HMAOBPPARGPPARACA1
SCHEMBL27871586 0.74 LTA4H (0.62) ALOX5LTA4HLAP3MAOBPPARG

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-6254850-B1 POLYCARBOXYALKYLAMINOALKANES FOR COMPLEXES SCHERING AKTIENGESELLSCHAFT (DE) 2001-07-03 US disclosed
US-6040432-A Metal complexes, of DTPA derivatives suitable for use in diagnosis and therapy SCHERING AKTIENGESELLSCHAFT (DE) 2000-03-21 US disclosed
EP-0810989-B1 NOVELLY SUBSTITUTED DTPA DERIVATIVES, METAL COMPLEXES THEREOF, PHARMACEUTICALS CONTAINING THESE COMPLEXES, DIAGNOSTIC AND THERAPEUTIC USES THEREOF AND METHODS FOR PREPARING THE COMPLEXES AND PHARMACEUTICALS SCHERING AG (DE) 1999-08-04 EP disclosed