SCHEMBL8905536

SCHEMBL8905536

CCCCCN(c1ccc2nc(CCCC)n(-c3ccc(-c4ccccc4)c(C(=O)O)c3C)c2c1)S(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.44
PTGES O14684 2/20 0.44
NR1I2 O75469 1/20 0.39
AGTR1 P30556 2/20 0.38
AGTR2 P50052 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NOD2 Q9HC29 1/20 0.36
NOD1 Q9Y239 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
SCHEMBL8906990 0.94 ALOX5 (0.42) ALOX5PTGESL3MBTL1
SCHEMBL8907331 0.93 ALOX5 (0.40) ALOX5PTGESAGTR1
SCHEMBL8905567 0.90 KEAP1 (0.42) ALOX5PTGES
SCHEMBL8907073 0.87 PTPN22 (0.43) ALOX5PTGES
SCHEMBL8905550 0.86 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL8905540 0.85 AGTR1 (0.41) ALOX5PTGESAGTR1AGTR2
SCHEMBL8906118 0.84 PPARG (0.37) AGTR1AGTR2
SCHEMBL8905756 0.84 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL8906787 0.82 AGTR2 (0.37) AGTR1AGTR2
SCHEMBL8905446 0.80 AGTR1 (0.38) AGTR1AGTR2

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-5684029-A HYPOTENSIVE AGENTS KARL THOMAE GMBH (DE) 1997-11-04 US disclosed