SCHEMBL5204934

SCHEMBL5204934

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.39
HDAC8 Q9BY41 2/20 0.38
HDAC1 Q13547 1/20 0.38
FFAR1 O14842 8/20 0.38
ALOX5 P09917 2/20 0.38
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
GNA15 P30679 1/20 0.36
PTGER3 P43115 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35

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 0.91 CACNA1B (0.44) PTGESHDAC8HDAC1FFAR1ALOX5
SCHEMBL5205774 0.90 ADAMTS5 (0.40) PTGESHDAC8FFAR1ALOX5MEN1
SCHEMBL5201809 0.83 FFAR1 (0.49) PTGESFFAR1ALOX5GNA15PTGER3
SCHEMBL7834277 0.82 FFAR1 (0.44) HDAC8HDAC1FFAR1MEN1KMT2A
SCHEMBL5205589 0.81 CACNA1B (0.50) MEN1KMT2AKDM4CKDM5B
SCHEMBL6176321 0.80 FFAR1 (0.42) HDAC8HDAC1FFAR1MEN1KMT2A
SCHEMBL5201777 0.79 P2RY1 (0.43) HDAC8FFAR1MEN1KMT2A
SCHEMBL5205267 0.78 MEN1 (0.41) PTGESMEN1HTTKMT2AL3MBTL1
SCHEMBL5205229 0.78 PTGDR2 (0.37) PTGESHDAC8FFAR1
SCHEMBL2957633 0.74 HSD17B1 (0.51) PTGESMEN1HTTKMT2AL3MBTL1

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