SCHEMBL8909853

SCHEMBL8909853

CCCOC(=O)C(N)C(CC)Oc1ccc(Cc2ccsc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.42
SLC1A3 P43003 2/20 0.38
SLC1A2 P43004 2/20 0.38
SLC1A1 P43005 2/20 0.38
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
SIRT5 Q9NXA8 1/20 0.35
ALDH1A1 P00352 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TP53 P04637 1/20 0.32
PPARG P37231 3/20 0.32
PPARA Q07869 3/20 0.32
LNPEP Q9UIQ6 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
ADORA2B P29275 1/20 0.31

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
SCHEMBL8909018 0.81 LTA4H (0.43) LTA4HSLC1A3SLC1A2SLC1A1PTGS1
SCHEMBL8637368 0.71 LTA4H (0.55) LTA4HSLC1A3SLC1A2SLC1A1PTGS1
SCHEMBL5684056 0.71 LTA4H (0.48) LTA4HPTGS1PTGS2ALDH1A1TRPM8
SCHEMBL8640502 0.70 LTA4H (0.43) LTA4HSLC1A3SLC1A2SLC1A1PTGS1
SCHEMBL8637374 0.68 LTA4H (0.43) LTA4HSLC1A3SLC1A2SLC1A1PTGS1
SCHEMBL22775084 0.67 SLC1A3 (0.42) SLC1A3SLC1A2SLC1A1SIRT5ALDH1A1
SCHEMBL28035078 0.65 TP53 (0.58) SIRT5ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL8637371 0.65 LTA4H (0.39) LTA4HSLC1A3SLC1A2SLC1A1PTGS1
SCHEMBL8640498 0.65 LTA4H (0.55) LTA4HSLC1A3SLC1A2SLC1A1PTGS1
SCHEMBL1855435 0.64 LTA4H (0.57) LTA4HALDH1A1

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-5700816-A ANTIARTHRITIC AGENTS G.D. SEARLE & CO. 1997-12-23 US claimed