SCHEMBL7141067

SCHEMBL7141067

CC(C(=O)O)N(C)CCCCOc1ccc(Cc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 15/20 0.67
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.52
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
HTT P42858 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
SCHEMBL7552353 0.96 LTA4H (0.64) LTA4HL3MBTL1CYP1A2CYP2D6CYP2C9
SCHEMBL7139770 0.82 LTA4H (0.55) LTA4HMEN1KMT2AL3MBTL1CYP1A2
SCHEMBL7550752 0.80 LTA4H (0.64) LTA4HMEN1KMT2AL3MBTL1CYP1A2
SCHEMBL7141071 0.79 LTA4H (0.92) LTA4H
SCHEMBL10829172 0.76 LTA4H (0.69) LTA4HMEN1KMT2ACYP1A2CYP2D6
SCHEMBL4531624 0.75 LTA4H (1.00) LTA4H
SCHEMBL4105743 0.74 ITGB3 (0.57) LTA4HL3MBTL1
Hydrochloric Acid SCHEMBL1895851 0.74 LTA4H (1.00) LTA4H
SCHEMBL8644115 0.74 LTA4H (0.51) LTA4HL3MBTL1
SCHEMBL13588339 0.74 LTA4H (1.00) LTA4HL3MBTL1CYP1A2CYP2D6CYP2C9

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