SCHEMBL6907929

SCHEMBL6907929

CC(C)CC(C)OC(=O)C(O)c1ccc(Cl)c2cccnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.46
ALOX12 P18054 3/20 0.46
CYP3A4 P08684 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
PKM P14618 1/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HSP90AA1 P07900 2/20 0.42
BRD4 O60885 1/20 0.42
LMNA P02545 1/20 0.42
METAP2 P50579 1/20 0.42
METAP1 P53582 1/20 0.42
L3MBTL1 Q9Y468 4/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
NCOA3 Q9Y6Q9 1/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HIF1A Q16665 1/20 0.39

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
SCHEMBL27725861 0.83 KDM4E (0.50) KDM4EALOX12CYP3A4TDP1PKM
SCHEMBL9829190 0.79 PKM (0.62) KDM4EALOX12CYP3A4TDP1PKM
SCHEMBL29452841 0.79 PKM (0.62) KDM4EALOX12CYP3A4TDP1PKM
SCHEMBL339943 0.79 PKM (0.62) KDM4EALOX12CYP3A4TDP1PKM
SCHEMBL9831364 0.79 PKM (0.62) KDM4EALOX12CYP3A4TDP1PKM
SCHEMBL1837396 0.77 KDM4E (0.53) KDM4EALOX12CYP3A4TDP1PKM
SCHEMBL6903273 0.74 KDM4E (0.51) KDM4EALOX12CYP3A4TDP1PKM
SCHEMBL15822961 0.73 KDM4E (0.52) KDM4EALOX12CYP3A4TDP1PKM
SCHEMBL29005574 0.73 KDM4E (0.63) KDM4EALOX12CYP3A4TDP1PKM
SCHEMBL27651327 0.72 KDM4E (0.49) KDM4EALOX12CYP3A4TDP1PKM

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
US-6743754-B2 A SULFONYLUREA AND ONE OR MORE SURFACTANTS COMPRISING AS STRUCTURAL ELEMENT AT LEAST 10 ALKYLENE OXIDE UNITS. AVENTIS CROPSCIENCE GMBH (DE) 2004-06-01 US disclosed