SCHEMBL3811208

SCHEMBL3811208

COC(=O)c1cc(OCc2ccccc2)cc(-c2ccc3c(c2)OCO3)c1.COC(=O)c1cc(OCc2ccccc2)cc(OS(=O)(=O)C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.44
EDNRA P25101 7/20 0.43
EDNRB P24530 6/20 0.43
TP53 P04637 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 2/20 0.42
KDM4E B2RXH2 2/20 0.42
TSHR P16473 2/20 0.42
GAA P10253 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PTGER4 P35408 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL2262693 0.90 MAOB (0.54) MAOBEDNRAEDNRBTP53KMT2A
SCHEMBL89330 0.84 LMNA (0.55) MAOBKMT2AHPGDMEN1LMNA
SCHEMBL2261371 0.82 MAOB (0.51) MAOBEDNRAEDNRBTP53KMT2A
SCHEMBL2262151 0.80 MEN1 (0.59) MAOBEDNRAEDNRBTP53KMT2A
SCHEMBL731053 0.76 CA12 (0.45) TSHR
SCHEMBL731203 0.74 LMNA (0.62) MAOBKMT2AMAPTHPGDMEN1
SCHEMBL12389464 0.74 RAB9A (0.55) KMT2AALDH1A1MAPTHPGDMEN1
SCHEMBL14002243 0.74 MAOB (0.59) MAOBKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL8896523 0.74 MEN1 (0.50) MAOBKMT2AALDH1A1MEN1L3MBTL1
SCHEMBL391547 0.73 MEN1 (0.71) MAOBKMT2AMAPTHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2234995-A1 LEUKOTRIENE B4 INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-10-06 EP disclosed
WO-2009077385-A1 LEUKOTRIENE B4 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 WO disclosed