SCHEMBL7140130

SCHEMBL7140130

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

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 12/20 0.64
L3MBTL1 Q9Y468 1/20 0.57
FDPS P14324 1/20 0.53
DRD2 P14416 5/20 0.52
DRD4 P21917 5/20 0.52
DRD3 P35462 5/20 0.52
KDM4E B2RXH2 1/20 0.52
MITF O75030 1/20 0.52
GAA P10253 1/20 0.52

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
SCHEMBL7135151 0.79 LTA4H (0.73) LTA4HL3MBTL1KDM4EMITFGAA
SCHEMBL7136224 0.78 LTA4H (1.00) LTA4H
SCHEMBL7139455 0.77 LTA4H (0.92) LTA4HKDM4E
SCHEMBL7132993 0.77 LTA4H (0.78) LTA4HL3MBTL1
SCHEMBL8773760 0.77 LTA4H (0.65) LTA4HL3MBTL1DRD2DRD4DRD3
SCHEMBL20251326 0.76 L3MBTL1 (0.81) LTA4HL3MBTL1
SCHEMBL7134887 0.76 LTA4H (0.80) LTA4HKDM4E
SCHEMBL7139744 0.74 LTA4H (1.00) LTA4H
SCHEMBL7135460 0.74 LTA4H (1.00) LTA4HL3MBTL1
SCHEMBL9269886 0.73 DRD4 (0.80) LTA4HL3MBTL1DRD2DRD4DRD3

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