SCHEMBL5709192

SCHEMBL5709192

CC(C)Oc1nc2c(OC(C)(C)C)ccc(C(C=O)N(CCc3ccc(OCCCCc4ccccc4)cc3)Cc3ccccc3)c2s1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 5/20 0.33
LTB4R2 Q9NPC1 5/20 0.33
PPARG P37231 3/20 0.32
PPARD Q03181 3/20 0.32
PPARA Q07869 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
FFAR1 O14842 1/20 0.31
BCHE P06276 1/20 0.31
S1PR1 P21453 3/20 0.30
S1PR4 O95977 2/20 0.30
S1PR3 Q99500 2/20 0.30
S1PR5 Q9H228 2/20 0.30

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
SCHEMBL27668431 0.87 LTB4R (0.32) LTB4RLTB4R2PPARGPPARDPPARA
SCHEMBL27556880 0.83 ALDH1A1 (0.37) LTB4RLTB4R2PPARGPPARDPPARA
SCHEMBL3838340 0.80 LTB4R (0.36) LTB4RLTB4R2PPARGPPARDPPARA
SCHEMBL6184688 0.72
SCHEMBL3838058 0.72 ALDH1A1 (0.34) PPARDBCHE
SCHEMBL27553731 0.65 ACACB (0.34)
SCHEMBL13672475 0.65 ADRB1 (0.38)
SCHEMBL27530769 0.65 ADRB2 (0.47)
SCHEMBL27533607 0.64 ACACB (0.34)
SCHEMBL27553728 0.63 ACACB (0.36)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1715860-A1 COMBINATION OF BENZOTHIAZOL-2-ONE BETA2 ADRENOCEPTOR AGONISTS AND CORTICOSTEROIDS FOR THE TREATMENT OF RESPIRATORY DISEASES Novartis AG (CH) 2006-11-02 EP disclosed
WO-2005074924-A1 COMBINATION OF BENZOTHIAZOL-2-ONE BETA2 ADRENOCEPTOR AGONISTS AND CORTICOSTEROIDS FOR THE TREATMENT OF RESPIRATORY DISEASES NOVARTIS AG (CH) 2005-08-18 WO disclosed
EP-1529038-A1 BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY Novartis AG (CH) 2005-05-11 EP disclosed
WO-2004016601-A1 BENZOTHIAZOLE DERIVATIVES HAVING BETA-2-ADRENORECEPTOR AGONIST ACTIVITY NOVARTIS AG (CH) 2004-02-26 WO disclosed