SCHEMBL18628115

SCHEMBL18628115

COc1cc(OCC(=O)O)ccc1-c1cc(CN(CC(=O)O)CC(=O)O)nc(CN(CCc2ccc(N=C=S)cc2)Cc2cc(-c3ccc(OCC(=O)O)cc3OC)cc(CN(CC(=O)O)CC(=O)O)n2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 2/20 0.37
LPAR2 Q9HBW0 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
ADORA2B P29275 1/20 0.34
GYS1 P13807 1/20 0.34
PPARD Q03181 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33
KCNH2 Q12809 1/20 0.33
CTSA P10619 1/20 0.33
MAPT P10636 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA9 Q16790 1/20 0.33
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 1/20 0.33
FFAR1 O14842 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
SCHEMBL3433506 0.94 LPAR1 (0.35) LPAR1LPAR2L3MBTL1ADORA2BPPARD
SCHEMBL3402232 0.88 LPAR1 (0.39) LPAR1LPAR2L3MBTL1PPARGPPARA
SCHEMBL3433166 0.84 LPAR1 (0.31) LPAR1LPAR2
SCHEMBL3434668 0.82 LPAR1 (0.37) LPAR1LPAR2L3MBTL1ADORA2BPPARD
SCHEMBL3433647 0.78 L3MBTL1 (0.35) L3MBTL1PPARGPPARAPPARDMAPT
SCHEMBL15117017 0.78 LTB4R (0.33) LPAR1LPAR2PPARGPPARAPPARD
SCHEMBL15423453 0.77 KCNH2 (0.34) PPARGPPARAPPARDKCNH2MAPT
SCHEMBL4598913 0.77 P2RY6 (0.50) PPARGPPARAKCNH2MAPT
SCHEMBL8548578 0.77 CTSA (0.45) CTSA
SCHEMBL9356156 0.71 P2RY6 (0.46) PPARGPPARAKCNH2MAPTFFAR1

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-2794812-B1 NOVEL LUMINESCENT LANTHANIDE CHELATES WITH ENHANCED EXCITATION PROPERTIES RADIOMETER TURKU OY (FI) 2017-03-22 EP disclosed