SCHEMBL9356014

SCHEMBL9356014

Nc1ccc(CCc2cc(CN(CC(=O)O)CC(=O)O)nc(-c3cc(CCc4ccc(N)cc4)cc(CN(CC(=O)O)CC(=O)O)n3)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CYP19A1 P11511 3/20 0.35
CA1 P00915 8/20 0.34
CA2 P00918 8/20 0.34
CA4 P22748 2/20 0.33
KCNH2 Q12809 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
GRK6 P43250 1/20 0.33
BACE1 P56817 1/20 0.33
PPARG P37231 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL10535744 0.93 GFER (0.41) GFERMAOAMAOBHDAC1HDAC6
SCHEMBL9356406 0.83 PPIB (0.40) MAOACYP19A1CA1CA2PPARG
SCHEMBL9356156 0.79 P2RY6 (0.46) KCNH2PPARGPPARA
SCHEMBL13939569 0.79 FFAR1 (0.41) PPARGPPARA
SCHEMBL8225522 0.75 PPIB (0.42) GFERMAOACYP19A1CA1CA2
SCHEMBL9296643 0.75 LTB4R (0.41) HDAC1PPARGPPARA
SCHEMBL13130200 0.74 ALDH1A1 (0.35) GFERPPARGPPARA
SCHEMBL12293197 0.74 LTB4R (0.38) GFERHDAC1CA1CA2PPARG
SCHEMBL8425241 0.74 MAPT (0.48) GFERMAOAMAOBCA1CA2
SCHEMBL9078131 0.73 PTPRF (0.35) PPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0357731-B1 A NOVEL SPECTROFLUOROMETRIC METHOD AND COMPOUNDS THAT ARE OF VALUE FOR THE METHOD WALLAC OY (FI) 1994-11-30 EP disclosed
US-5216134-A Using two different chelates as probes WALLAC OY (FI) 1993-06-01 US disclosed
EP-0357731-A1 A NOVEL SPECTROFLUOROMETRIC METHOD AND COMPOUNDS THAT ARE OF VALUE FOR THE METHOD. WALLAC OY (FI) 1990-03-14 EP disclosed
WO-1989008263-A1 A NOVEL SPECTROFLUOROMETRIC METHOD AND COMPOUNDS THAT ARE OF VALUE FOR THE METHOD WALLAC OY (FI) 1989-09-08 WO disclosed