SCHEMBL8638403

SCHEMBL8638403

CCCC(C)(Oc1ccc(Cc2cccs2)cc1)C(C)C(=O)ON

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.39
TRPM8 Q7Z2W7 6/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
POLB P06746 4/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
DNMT1 P26358 1/20 0.38
PTPN7 P35236 1/20 0.38
MCL1 Q07820 1/20 0.38
ESR2 Q92731 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37

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
SCHEMBL8639361 0.85 OPRK1 (0.39) LTA4HPPARA
SCHEMBL8637371 0.82 LTA4H (0.39) LTA4HTRPM8PTGS1PTGS2ALDH1A1
SCHEMBL8641132 0.79 LTA4H (0.42) LTA4HTRPM8PTGS1PTGS2POLB
SCHEMBL8641136 0.73 LTA4H (0.43) LTA4HTRPM8PTGS1PTGS2POLB
SCHEMBL8638408 0.72 LTA4H (0.44) LTA4HTRPM8PTGS1PTGS2POLB
SCHEMBL8638821 0.67 PPARG (0.39) LTA4HL3MBTL1ALDH1A1TSHRMAPK1
SCHEMBL10526948 0.66 LTA4H (0.52) LTA4HTRPM8PTGS1PTGS2POLB
SCHEMBL8638399 0.66 LTA4H (0.55) LTA4HTRPM8PTGS1PTGS2POLB
SCHEMBL8909018 0.66 LTA4H (0.43) LTA4HTRPM8PTGS1PTGS2POLB
SCHEMBL6096446 0.66 MEN1 (0.49) LTA4HPTGS1PTGS2POLBL3MBTL1

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
US-5723492-A LTA4 hydrolase inhibitor pharmaceutical compositions and methods of use G.D. SEARLE & CO. (US) 1998-03-03 US disclosed
US-5719306-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed