SCHEMBL5205774

SCHEMBL5205774

CC(C)(C)N(Cc1cccc(Oc2cc(Cl)ccc2NCc2ccc(-c3ccccc3)cc2)c1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 3/20 0.40
PTGDR2 Q9Y5Y4 2/20 0.40
PTGES O14684 2/20 0.38
HDAC8 Q9BY41 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
FFAR1 O14842 2/20 0.38
ALOX5 P09917 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
PPARG P37231 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
DAGLA Q9Y4D2 1/20 0.37
ACLY P53396 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL5204934 0.90 PTGES (0.39) PTGESHDAC8MEN1KMT2AFFAR1
SCHEMBL5205144 0.90 CACNA1B (0.44) PTGDR2PTGESHDAC8MEN1KMT2A
SCHEMBL5201777 0.89 P2RY1 (0.43) PTGDR2HDAC8MEN1KMT2AFFAR1
SCHEMBL5205229 0.87 PTGDR2 (0.37) PTGDR2PTGESHDAC8FFAR1MRGPRX4
SCHEMBL5206113 0.82 ADAMTS5 (0.48) ADAMTS5PTGDR2HDAC8FFAR1MRGPRX4
SCHEMBL5201809 0.82 FFAR1 (0.49) PTGESFFAR1ALOX5PPARGPPARD
SCHEMBL5205589 0.81 CACNA1B (0.50) MEN1KMT2AALDH1A1
SCHEMBL5208318 0.80 HDAC1 (0.43) ADAMTS5PTGDR2FFAR1
SCHEMBL6177750 0.80 ADAMTS5 (0.44) ADAMTS5PTGDR2FFAR1MRGPRX4ACLY
SCHEMBL5206121 0.79 MEN1 (0.41) PTGDR2PTGESMEN1KMT2AMRGPRX4

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