SCHEMBL3398146

SCHEMBL3398146

CC(C)(C)C(C(=O)O)(N(Cc1cc(Br)cc(CN(CCc2ccc(N)cc2)Cc2cc(Br)cc(CN(CC(=O)O)CC(=O)O)n2)n1)C(C(=O)O)(C(C)(C)C)C(C)(C)C)C(C)(C)C

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.30
PPARA Q07869 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
F10 P00742 1/20 0.30
CA1 P00915 5/20 0.30
CA2 P00918 5/20 0.30
CA4 P22748 3/20 0.30
KCNH2 Q12809 1/20 0.30
CA12 O43570 1/20 0.30

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
SCHEMBL3477183 0.79 NR1D1 (0.34) L3MBTL1
SCHEMBL18674519 0.75 NR1D1 (0.32) L3MBTL1
SCHEMBL10535744 0.74 GFER (0.41) CA1CA2CA4KCNH2CA12
SCHEMBL3398131 0.72
SCHEMBL3628974 0.71 TDP1 (0.38) CA1CA2CA4
SCHEMBL18674468 0.68 PPARG (0.46) PPARGPPARAL3MBTL1
SCHEMBL9356014 0.68 GFER (0.38) PPARGPPARACA1CA2CA4
SCHEMBL18674466 0.67 PPARG (0.41) PPARGPPARAL3MBTL1KCNH2
SCHEMBL3402232 0.66 LPAR1 (0.39) PPARGPPARAL3MBTL1CA1CA2
SCHEMBL12293197 0.65 LTB4R (0.38) PPARGPPARACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2052252-B1 LUMINESCENT LANTHANIDE LABELLING REAGENTS AND THEIR USE ABACUS DIAGNOSTICA OY (FI) 2010-11-10 EP disclosed