SCHEMBL5205229

SCHEMBL5205229

CC(C)(C)N(Cc1cccc(Oc2cc(Cl)ccc2NCc2ccc(O[Si](C)(C)C(C)(C)C)cc2)c1)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.37
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.35
FFAR1 O14842 1/20 0.34
ALDH1A1 P00352 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PTGES O14684 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA9 Q16790 1/20 0.34
P2RX3 P56373 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
SCHEMBL5205774 0.87 ADAMTS5 (0.40) PTGDR2PPARGPPARDPPARAMRGPRX4
SCHEMBL6176779 0.86 PPARG (0.46) PTGDR2PPARGPPARDPPARAMRGPRX4
SCHEMBL5201777 0.85 P2RY1 (0.43) PTGDR2PPARGPPARDPPARAMRGPRX4
SCHEMBL5204934 0.78 PTGES (0.39) FFAR1PTGESHDAC8
SCHEMBL5205144 0.77 CACNA1B (0.44) PTGDR2FFAR1PTGESHDAC8
SCHEMBL5206121 0.76 MEN1 (0.41) PTGDR2PPARGPPARDPPARAMRGPRX4
SCHEMBL5204827 0.72 TDP1 (0.41) PTGES
SCHEMBL5205589 0.70 CACNA1B (0.50) ALDH1A1
SCHEMBL5206113 0.69 ADAMTS5 (0.48) PTGDR2PPARGPPARDPPARAMRGPRX4
SCHEMBL5201809 0.69 FFAR1 (0.49) PPARGPPARDPPARAFFAR1PTGES

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
US-7160887-B1 Aromatic amine derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-09 US disclosed