SCHEMBL7140747

SCHEMBL7140747

c1ccc(Cc2ccc(OCCCn3cnc4ccncc43)cc2)cc1

nearest known ligand 0.89

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 13/20 0.89
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
HRH3 Q9Y5N1 2/20 0.51
HRH1 P35367 1/20 0.51
KMT2A Q03164 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL7140945 0.94 LTA4H (1.00) LTA4HSMN1; SMN2LMNAKMT2AL3MBTL1
SCHEMBL7139816 0.91 LTA4H (0.89) LTA4HSMN1; SMN2LMNAALOX15TSHR
SCHEMBL7139516 0.88 LTA4H (0.69) LTA4HSMN1; SMN2LMNAALOX15TSHR
SCHEMBL7140828 0.84 LTA4H (0.82) LTA4HSMN1; SMN2LMNAALOX15TSHR
SCHEMBL7132063 0.84 LTA4H (1.00) LTA4HSMN1; SMN2LMNAKMT2AL3MBTL1
SCHEMBL7142378 0.81 LTA4H (0.78) LTA4HSMN1; SMN2LMNAALOX15TSHR
SCHEMBL7136549 0.80 LTA4H (1.00) LTA4HSMN1; SMN2LMNAALOX15TSHR
SCHEMBL7132164 0.78 LTA4H (0.88) LTA4HSMN1; SMN2LMNAALOX15TSHR
SCHEMBL7554941 0.78 LTA4H (0.69) LTA4HSMN1; SMN2LMNAALOX15TSHR
SCHEMBL7138418 0.78 LTA4H (0.62) LTA4HSMN1; SMN2LMNAALOX15TSHR

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