SCHEMBL5205997

SCHEMBL5205997

CC(C)(C)N(Cc1cccc(Oc2cc(OCc3ccccc3)ccc2[N+](=O)[O-])c1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.45
BCHE P06276 1/20 0.44
SLC2A1 P11166 2/20 0.44
BACE1 P56817 1/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
F10 P00742 1/20 0.41
ALOX5 P09917 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 1/20 0.41
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
POLB P06746 1/20 0.41
FFAR1 O14842 1/20 0.41
CETP P11597 1/20 0.41

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
SCHEMBL5204827 0.85 TDP1 (0.41) PTGESMAPTMEN1KMT2APOLB
SCHEMBL6176918 0.79 FFAR1 (0.50) BCHEBACE1MAPTMEN1KMT2A
SCHEMBL5202945 0.78 ALDH1A1 (0.48) MAPTMEN1KMT2APTGS1PTGS2
SCHEMBL14673865 0.77 MAPT (0.44) PTGESMAPTMEN1KMT2AALOX5
SCHEMBL503298 0.76 SLC2A1 (0.46) SLC2A1MAPTMEN1KMT2AALOX5
SCHEMBL7907625 0.74 MEN1 (0.54) PTGESBACE1MAPTMEN1KMT2A
SCHEMBL27490731 0.74 BACE1 (0.52) BACE1MAPTMEN1KMT2A
SCHEMBL14674248 0.73 LPAR1 (0.44)
SCHEMBL646471 0.73 MEN1 (0.54) PTGESBACE1MAPTMEN1KMT2A
SCHEMBL30061165 0.73 MEN1 (0.54) PTGESBACE1MAPTMEN1KMT2A

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