SCHEMBL4044784

SCHEMBL4044784

COC(=O)c1cc2c(s1)-c1cc(OCc3ccccc3)ccc1Oc1ccccc1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
GAA P10253 2/20 0.45
GLA P06280 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
ATM Q13315 1/20 0.45
HSD17B10 Q99714 1/20 0.45
OPRD1 P41143 1/20 0.41
PPARG P37231 1/20 0.40
NR4A2 P43354 1/20 0.40
MAOB P27338 3/20 0.40
NPC1 O15118 2/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL4044561 0.90 PPARG (0.50) HPGDL3MBTL1KDM4EALDH1A1GAA
SCHEMBL4043815 0.83 PPARG (0.49) HPGDL3MBTL1KDM4EALDH1A1GAA
SCHEMBL4043725 0.80 KDM4E (0.48) HPGDL3MBTL1KDM4EALDH1A1GAA
SCHEMBL4047340 0.79 PPARG (0.44) L3MBTL1ALDH1A1PPARGMAOBLMNA
SCHEMBL4043269 0.77 KDM4E (0.44) HPGDL3MBTL1KDM4EALDH1A1GAA
SCHEMBL4045889 0.74 CACNA1B (0.43) HPGDL3MBTL1KDM4EALDH1A1GAA
SCHEMBL4048616 0.73 MAOB (0.44) HPGDKDM4EALDH1A1MAPK1MAOB
SCHEMBL4048780 0.73 ALDH1A1 (0.50) HPGDL3MBTL1KDM4EALDH1A1GAA
SCHEMBL4045394 0.73 NOTUM (0.48) HPGDL3MBTL1KDM4EALDH1A1GAA
SCHEMBL4046143 0.73 KDM4E (0.50) HPGDL3MBTL1KDM4EALDH1A1GAA

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