SCHEMBL7141641

SCHEMBL7141641

CCOC(=O)C1CCCN(CCCOc2ccc(Cc3ccccc3)cc2)C1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.70
L3MBTL1 Q9Y468 2/20 0.68
ALDH1A1 P00352 3/20 0.64
KDM4E B2RXH2 2/20 0.64
HRH3 Q9Y5N1 2/20 0.62
ATM Q13315 1/20 0.60
SIGMAR1 Q99720 1/20 0.58
HTR7 P34969 2/20 0.58
HTR1A P08908 1/20 0.58
DRD2 P14416 1/20 0.58
HTR2A P28223 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL7142341 0.95 LTA4H (0.77) LTA4HL3MBTL1ALDH1A1KDM4EATM
SCHEMBL8909943 0.89 ALDH1A1 (0.66) L3MBTL1ALDH1A1KDM4EATMSIGMAR1
SCHEMBL8909936 0.89 ALDH1A1 (0.66) L3MBTL1ALDH1A1KDM4EATMSIGMAR1
SCHEMBL491545 0.88 SIGMAR1 (0.67) L3MBTL1ALDH1A1KDM4EATMSIGMAR1
SCHEMBL8910535 0.86 ALDH1A1 (0.69) LTA4HL3MBTL1ALDH1A1KDM4EATM
SCHEMBL8693251 0.86 ALDH1A1 (0.69) LTA4HL3MBTL1ALDH1A1KDM4EATM
SCHEMBL7135531 0.85 LTA4H (0.78) LTA4HALDH1A1KDM4EHRH3SMN1; SMN2
Oxalic Acid SCHEMBL8694605 0.84 ALDH1A1 (0.66) LTA4HL3MBTL1ALDH1A1KDM4EATM
SCHEMBL5281462 0.84 SIGMAR1 (0.63) LTA4HL3MBTL1ALDH1A1KDM4EHRH3
SCHEMBL8871799 0.82 KDM4E (0.64) L3MBTL1ALDH1A1KDM4EATMHTR7

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