SCHEMBL1855236

SCHEMBL1855236

CC(C)Oc1ccc(Cc2cc3cccc(-c4cccc(C(=O)O)c4)c3s2)cn1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 4/20 0.45
S1PR5 Q9H228 10/20 0.44
S1PR4 O95977 10/20 0.40
S1PR1 P21453 1/20 0.40
PTGER1 P34995 1/20 0.37
FOLH1 Q04609 1/20 0.37
CD274 Q9NZQ7 1/20 0.36
KLKB1 P03952 1/20 0.36
KLK1 P06870 1/20 0.36

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
SCHEMBL1848534 0.90 GPR52 (0.49) GPR52S1PR5S1PR4PTGER1FOLH1
SCHEMBL1848252 0.90 GPR52 (0.44) GPR52S1PR5S1PR4S1PR1
SCHEMBL1854846 0.89 GPR52 (0.44) GPR52S1PR5S1PR4PTGER1FOLH1
SCHEMBL3207002 0.87 GPR52 (0.60) GPR52KLKB1KLK1
SCHEMBL1855238 0.87 GPR52 (0.47) GPR52S1PR5S1PR4PTGER1FOLH1
SCHEMBL1853560 0.84 GPR52 (0.46) GPR52S1PR5S1PR4
SCHEMBL1856933 0.80 GPR52 (0.57) GPR52
SCHEMBL1856606 0.79 GPR52 (0.48) GPR52S1PR5S1PR4
SCHEMBL1848254 0.78 GPR52 (0.47) GPR52S1PR5S1PR4
SCHEMBL3206759 0.77 GPR52 (0.63) GPR52

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2323978-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-05-25 EP disclosed
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed