SCHEMBL7141653

SCHEMBL7141653

O=C(CCNCCCOc1ccc(Cc2ccccc2)cc1)OCc1ccccc1

nearest known ligand 0.80

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 13/20 0.80
S1PR1 P21453 4/20 0.58
S1PR3 Q99500 2/20 0.58
S1PR5 Q9H228 1/20 0.56
NPC1 O15118 2/20 0.55
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.55
LMNA P02545 1/20 0.55
KMT2A Q03164 1/20 0.55
HTT P42858 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MAPT P10636 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL7135461 0.96 LTA4H (0.80) LTA4HS1PR1S1PR3S1PR5NPC1
SCHEMBL7139967 0.96 LTA4H (0.77) LTA4HS1PR1S1PR3MAPTL3MBTL1
SCHEMBL7140971 0.90 LTA4H (0.65) LTA4HS1PR1S1PR3S1PR5NPC1
SCHEMBL7139744 0.89 LTA4H (1.00) LTA4HS1PR1S1PR3
SCHEMBL7139455 0.87 LTA4H (0.92) LTA4HS1PR1S1PR3S1PR5NPC1
SCHEMBL7139678 0.86 LTA4H (0.66) LTA4HS1PR1S1PR3S1PR5NPC1
SCHEMBL7136224 0.85 LTA4H (1.00) LTA4HS1PR1S1PR3S1PR5
SCHEMBL7132986 0.85 LTA4H (1.00) LTA4HS1PR1S1PR3S1PR5L3MBTL1
SCHEMBL7137987 0.84 LTA4H (0.98) LTA4HS1PR1S1PR3S1PR5L3MBTL1
SCHEMBL7134887 0.83 LTA4H (0.80) LTA4HS1PR1S1PR3S1PR5KDM4E

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