SCHEMBL7135151

SCHEMBL7135151

CC(C)(C)OC(=O)CCNCCCOc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 13/20 0.73
S1PR1 P21453 4/20 0.56
S1PR3 Q99500 2/20 0.56
S1PR5 Q9H228 1/20 0.54
KDM4E B2RXH2 1/20 0.53
MITF O75030 1/20 0.53
GAA P10253 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL947617 0.88 S1PR1 (0.72) LTA4HS1PR1S1PR3S1PR5MEN1
SCHEMBL7139455 0.88 LTA4H (0.92) LTA4HS1PR1S1PR3S1PR5KDM4E
SCHEMBL7139744 0.84 LTA4H (1.00) LTA4HS1PR1S1PR3
SCHEMBL7136224 0.83 LTA4H (1.00) LTA4HS1PR1S1PR3S1PR5
SCHEMBL7141653 0.83 LTA4H (0.80) LTA4HS1PR1S1PR3S1PR5KDM4E
SCHEMBL7132993 0.83 LTA4H (0.78) LTA4HS1PR1S1PR3S1PR5MEN1
SCHEMBL7134887 0.81 LTA4H (0.80) LTA4HS1PR1S1PR3S1PR5KDM4E
SCHEMBL7132986 0.81 LTA4H (1.00) LTA4HS1PR1S1PR3S1PR5L3MBTL1
SCHEMBL7137606 0.81 SIGMAR1 (0.54) LTA4HS1PR1S1PR3S1PR5L3MBTL1
SCHEMBL7137987 0.80 LTA4H (0.98) LTA4HS1PR1S1PR3S1PR5L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6506876-B1 LTA4 hydrolase inhibitor pharmaceutical compositions and methods of use G.D. SEARLE & CO. 2003-01-14 US disclosed
EP-0804427-B1 LTA4 HYDROLASE INHIBITORS SEARLE & CO (US) 2002-09-18 EP disclosed
EP-1221441-A2 LTA4 Hydrolase inhibitors G.D. SEARLE & CO. (US) 2002-07-10 EP disclosed
EP-0804427-A1 LTA4 HYDROLASE INHIBITORS G.D. SEARLE & CO. (US) 1997-11-05 EP disclosed
EP-0786992-A2 LTA 4? HYDROLASE INHIBITOR PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G.D. SEARLE & CO. (US) 1997-08-06 EP disclosed
US-5585492-A USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES WHICH ARE MEDIATED BY LTB4 PRODUCTION, SUCH AS PSORIASIS, ULCERATIVE COLITIS, IRRITABLE BOWEL DISEASE AND ASTHMA G. D. SEARLE & CO. (US) 1996-12-17 US disclosed
WO-1996010999-A2 LTA4 HYDROLASE INHIBITOR PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE G.D. SEARLE & CO. (US) 1996-04-18 WO disclosed
WO-1996011192-A1 LTA4 HYDROLASE INHIBITORS G.D. SEARLE & CO. (US) 1996-04-18 WO disclosed