SCHEMBL7136196

SCHEMBL7136196

c1ccc(Oc2ccc(OCCCn3cnc4ccccc43)cc2)cc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 12/20 0.81
LMNA P02545 8/20 0.81
TSHR P16473 2/20 0.81
ALOX15 P16050 1/20 0.81
L3MBTL1 Q9Y468 1/20 0.76
HTT P42858 7/20 0.67
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
LTA4H P09960 1/20 0.65
MAPT P10636 6/20 0.62
HPGD P15428 2/20 0.62
NPC1 O15118 1/20 0.59
NFKB1 P19838 1/20 0.59
RAB9A P51151 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
TDP1 Q9NUW8 1/20 0.58
TP53 P04637 1/20 0.56
NPSR1 Q6W5P4 2/20 0.54
STAT3 P40763 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
SCHEMBL7138052 0.93 L3MBTL1 (0.88) SMN1; SMN2LMNATSHRALOX15L3MBTL1
SCHEMBL7139516 0.85 LTA4H (0.69) SMN1; SMN2LMNATSHRALOX15L3MBTL1
SCHEMBL7554941 0.85 LTA4H (0.69) SMN1; SMN2LMNATSHRALOX15L3MBTL1
SCHEMBL9427745 0.84 L3MBTL1 (0.63) SMN1; SMN2LMNATSHRALOX15L3MBTL1
SCHEMBL24041766 0.83 SMN1; SMN2 (0.72) SMN1; SMN2LMNATSHRALOX15L3MBTL1
SCHEMBL7293512 0.83 SMN1; SMN2 (0.68) SMN1; SMN2LMNATSHRALOX15L3MBTL1
SCHEMBL7140354 0.82 SMN1; SMN2 (0.56) SMN1; SMN2LMNATSHRALOX15L3MBTL1
SCHEMBL7132899 0.82 LTA4H (0.67) SMN1; SMN2LMNATSHRALOX15L3MBTL1
SCHEMBL24041750 0.82 L3MBTL1 (0.74) SMN1; SMN2LMNATSHRALOX15L3MBTL1
SCHEMBL1727626 0.81 L3MBTL1 (0.67) SMN1; SMN2LMNATSHRALOX15L3MBTL1

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 10 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
US-5723492-A LTA4 hydrolase inhibitor pharmaceutical compositions and methods of use G.D. SEARLE & CO. (US) 1998-03-03 US disclosed
US-5719306-A ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1998-02-17 US 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