SCHEMBL7142480

SCHEMBL7142480

COC(=O)[C@@H]1CCCN1CCOc1ccc(Cc2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 16/20 1.00
PTGER4 P35408 2/20 0.54
AXL P30530 1/20 0.52
BACE1 P56817 1/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 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
SCHEMBL8635942 0.89 LTA4H (0.79) LTA4HPTGER4
SCHEMBL28817980 0.87 LTA4H (0.77) LTA4HPTGER4AXLBACE1
SCHEMBL16517870 0.87 LTA4H (0.77) LTA4HPTGER4AXLBACE1
SCHEMBL7137211 0.83 LTA4H (0.71) LTA4HKDM4EMEN1ALDH1A1KMT2A
SCHEMBL10576723 0.83 LTA4H (0.71) LTA4HPTGER4KDM4EALDH1A1
SCHEMBL10576719 0.83 LTA4H (0.71) LTA4HPTGER4KDM4EALDH1A1
SCHEMBL7138655 0.83 LTA4H (0.71) LTA4HKDM4EMEN1ALDH1A1KMT2A
SCHEMBL7137925 0.83 LTA4H (0.70) LTA4HKDM4EMEN1ALDH1A1KMT2A
SCHEMBL2770248 0.81 LTA4H (0.67) LTA4HALDH1A1
SCHEMBL2770247 0.81 LTA4H (0.67) 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 6 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-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