SCHEMBL6851824

SCHEMBL6851824

[CH2]/C=C/c1ccc(-c2ncco2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.47
HPGDS O60760 1/20 0.41
HDAC4 P56524 2/20 0.40
CHRNA7 P36544 1/20 0.38
CHRNA10 Q9GZZ6 1/20 0.38
CHRNA9 Q9UGM1 1/20 0.38
KCNJ1 P48048 1/20 0.35
KCNH2 Q12809 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL22468797 0.82 LTA4H (0.60) LTA4HHPGDSHDAC4CHRNA7CHRNA10
SCHEMBL22468796 0.82 LTA4H (0.60) LTA4HHPGDSHDAC4CHRNA7CHRNA10
SCHEMBL722557 0.80 LTA4H (0.64) LTA4HHPGDSHDAC4CHRNA7CHRNA10
SCHEMBL6848028 0.78 LTA4H (0.44) LTA4HHPGDSHDAC4CHRNA7CHRNA10
SCHEMBL6848024 0.78 LTA4H (0.44) LTA4HHPGDSHDAC4CHRNA7CHRNA10
SCHEMBL28257875 0.78 LTA4H (0.62) LTA4HHPGDSHDAC4CHRNA7CHRNA10
SCHEMBL28362996 0.78 LTA4H (0.62) LTA4HHPGDSHDAC4CHRNA7CHRNA10
SCHEMBL28320605 0.78 LTA4H (0.62) LTA4HHPGDSHDAC4CHRNA7CHRNA10
SCHEMBL5611162 0.78 LTA4H (0.50) LTA4HHPGDSHDAC4CHRNA7CHRNA10
SCHEMBL676582 0.75 LTA4H (0.55) LTA4HHPGDSHDAC4CHRNA7CHRNA10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1585775-A 6-O-acyl ketolide derivatives of erythromycine useful as antibacterials ORTHO MCNEIL PHARM INC (US) 2005-02-23 CN disclosed
US-6825170-B2 ERYTHROMYCIN TYPE MACROLIDE WITH A FUSED OXAZOLONE RING ORTHO-MCNEIL PHARMACEUTICAL, INC. 2004-11-30 US disclosed
EP-1453847-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-09-08 EP disclosed
WO-2003050132-A1 6-O-ACYL KETOLIDE DERIVATIVES OF ERYTHROMYCINE USEFUL AS ANTIBACTERIALS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-06-19 WO disclosed