SCHEMBL4047340

SCHEMBL4047340

CCOC(=O)Oc1cc2c(s1)-c1cc(OCc3ccccc3)ccc1Oc1ccccc1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.44
MAOB P27338 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.39
HSP90AA1 P07900 1/20 0.39
KMT2A Q03164 1/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ESR1 P03372 1/20 0.38
MAOA P21397 1/20 0.38
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37
LTB4R Q15722 2/20 0.37
LTB4R2 Q9NPC1 2/20 0.37
GABRA1 P14867 1/20 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
SCHEMBL4043160 0.94 PPARG (0.43) PPARGMAOBL3MBTL1LMNAMEN1
SCHEMBL4044561 0.85 PPARG (0.50) PPARGMAOBL3MBTL1LMNAMEN1
SCHEMBL4050340 0.84 CACNA1B (0.42) MAOBALDH1A1ESR1MAOA
SCHEMBL6204224 0.83 TYMS (0.37) L3MBTL1MEN1KMT2AALDH1A1CA2
SCHEMBL4045987 0.79 HDAC3 (0.41) MAOBMEN1KMT2AALDH1A1MAOA
SCHEMBL4043815 0.78 PPARG (0.49) PPARGMAOBL3MBTL1LMNAMEN1
SCHEMBL6204171 0.78 ALDH1A1 (0.38) L3MBTL1ALDH1A1
SCHEMBL4051251 0.76 ACHE (0.44) MAOBESR1
SCHEMBL4048616 0.70 MAOB (0.44) MAOBHSP90AA1ALDH1A1MAOACA2
SCHEMBL4044517 0.70 SLC6A4 (0.39) MAOBMAOALTB4RLTB4R2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1603921-B1 THIADIBENZOAZULENE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES GLAXOSMITHKLINE ZAGREB (HR) 2009-06-17 EP claimed