SCHEMBL5201809

SCHEMBL5201809

CC(C)(C)N(Cc1cccc(Oc2cccc(NCc3ccc(-c4ccccc4)cc3)c2)c1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 15/20 0.49
CACNA1B Q00975 1/20 0.47
GNA15 P30679 1/20 0.47
PTGER3 P43115 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
PTGES O14684 2/20 0.45
ALOX5 P09917 1/20 0.44
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43

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
SCHEMBL5205144 0.88 CACNA1B (0.44) FFAR1CACNA1BGNA15PTGER3FFAR4
SCHEMBL5204934 0.83 PTGES (0.39) FFAR1GNA15PTGER3FFAR4TDP1
SCHEMBL5205774 0.82 ADAMTS5 (0.40) FFAR1PTGESALOX5PPARGPPARD
SCHEMBL4010929 0.80 PTGES (0.49) FFAR1GNA15PTGER3FFAR4TDP1
SCHEMBL5205589 0.78 CACNA1B (0.50) CACNA1B
SCHEMBL6180089 0.77 FFAR1 (0.54) FFAR1CACNA1BGNA15PTGER3FFAR4
SCHEMBL5203690 0.75 FFAR1 (0.47) FFAR1FFAR4
SCHEMBL5179510 0.72 FFAR1 (0.60) FFAR1CACNA1BGNA15PTGER3FFAR4
SCHEMBL4035951 0.71 CACNA1B (0.59) FFAR1CACNA1BGNA15PTGER3FFAR4
SCHEMBL2957633 0.71 HSD17B1 (0.51) PTGES

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