SCHEMBL5318975

SCHEMBL5318975

COc1cc(C)ccc1Oc1cnccn1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.66
SMN1; SMN2 Q16637 1/20 0.64
ACHE P22303 1/20 0.52
PLAU P00749 1/20 0.47
KDM4E B2RXH2 2/20 0.47
SLC6A2 P23975 1/20 0.46
SLC6A4 P31645 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 4/20 0.42
HPGD P15428 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ATM Q13315 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
SCHEMBL4798133 0.83 MAPT (0.64) MAPTSMN1; SMN2PLAUKDM4ESLC6A2
SCHEMBL4798142 0.83 MAPT (0.64) MAPTSMN1; SMN2PLAUKDM4EMEN1
SCHEMBL5322990 0.81 SMN1; SMN2 (0.50) MAPTSMN1; SMN2PLAUKDM4EMEN1
SCHEMBL28286591 0.80 MAPT (0.60) MAPTSMN1; SMN2ACHEPLAUKDM4E
SCHEMBL5316585 0.74 L3MBTL1 (0.51) MAPTSMN1; SMN2ACHEKDM4ESLC6A2
SCHEMBL14951105 0.73 KDM4E (0.48) MAPTSMN1; SMN2ACHEKDM4EALDH1A1
SCHEMBL171894 0.73 KDM4E (0.62) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL4796598 0.72 KMT2A (0.49) MAPTSMN1; SMN2PLAUKDM4EMEN1
SCHEMBL4796604 0.72 KMT2A (0.49) MAPTSMN1; SMN2PLAUKDM4EMEN1
SCHEMBL29403877 0.71 ACHE (1.00) MAPTSMN1; SMN2ACHEKDM4EMEN1

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
WO-2007079173-A2 NOVEL 2-HETEROARYLOXY-PHENOL DERIVATIVES AS ANTIBACTERIAL AGENTS EMERGENT BIOSOLUTIONS INC. (US) 2007-07-12 WO disclosed
WO-2007079173-A2 NOVEL 2-HETEROARYLOXY-PHENOL DERIVATIVES AS ANTIBACTERIAL AGENTS EMERGENT BIOSOLUTIONS INC. (US) 2007-07-12 WO disclosed