SCHEMBL7299255

SCHEMBL7299255

[c]1ccc(Oc2ccc(-c3cccs3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.46
KCNH2 Q12809 2/20 0.41
HRH3 Q9Y5N1 1/20 0.41
CYP17A1 P05093 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
LPL P06858 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
CYP2E1 P05181 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2A6 P11509 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2B6 P20813 1/20 0.38
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 4/20 0.37
MAPT P10636 3/20 0.37
KMT2A Q03164 3/20 0.37

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
SCHEMBL9796767 0.89 LTA4H (0.55) LTA4HKCNH2HRH3CYP17A1CYP11B1
SCHEMBL5641149 0.83 LTA4H (0.50) LTA4HKCNH2HRH3CYP17A1CYP11B1
SCHEMBL126939 0.82 LTA4H (0.52) LTA4HKCNH2CYP17A1CYP11B1CYP11B2
SCHEMBL14542301 0.80 ESR1 (0.52) LTA4HKCNH2HRH3CYP17A1CYP11B1
SCHEMBL8005625 0.80 PPARG (0.53) LTA4HKCNH2HRH3CYP17A1CYP11B1
SCHEMBL7299247 0.77 LTA4H (0.41) LTA4HKCNH2HRH3CYP17A1CYP11B1
SCHEMBL10839908 0.76 ALDH1A1 (0.39) LTA4HCYP3A4ALDH1A1MAPTKMT2A
SCHEMBL338810 0.76 LTA4H (0.70) LTA4HKCNH2HRH3CYP17A1CYP11B1
SCHEMBL6790340 0.75 ALDH1A1 (0.54) LTA4HKCNH2HRH3CYP17A1CYP11B1
SCHEMBL7309529 0.74 DYRK1A (0.37) LTA4HMAPTNPC1RAB9A

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
CN-1177821-C Matrix metalloprotease inhibitors - 2004-12-01 CN claimed
EP-0780386-B1 Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2002-10-02 EP claimed
US-5932595-A ANTIARTHRITIC AGENT; MULTIPLE SCLEROSIS; OSTEOPOROSIS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTIULCER AGENT SYNTEX (U.S.A.) INC. (US) 1999-08-03 US claimed
CN-1160045-A Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 1997-09-24 CN claimed
EP-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 EP claimed
CN-1177821-C Matrix metalloprotease inhibitors - 2004-12-01 CN disclosed
EP-0780386-B1 Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 2002-10-02 EP disclosed
US-5932595-A ANTIARTHRITIC AGENT; MULTIPLE SCLEROSIS; OSTEOPOROSIS; RESPIRATORY SYSTEM DISORDERS; SKIN DISORDERS; ANTIULCER AGENT SYNTEX (U.S.A.) INC. (US) 1999-08-03 US disclosed
CN-1160045-A Matrix metalloprotease inhibitors HOFFMANN LA ROCHE (CH) 1997-09-24 CN disclosed
EP-0780386-A1 Matrix metalloprotease inhibitors F. HOFFMANN-LA ROCHE AG (CH) 1997-06-25 EP disclosed