SCHEMBL6852126

SCHEMBL6852126

[CH2]C#Cc1ccc(-c2ncco2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 6/20 0.49
HPGDS O60760 1/20 0.42
CHRNA7 P36544 1/20 0.39
CHRNA10 Q9GZZ6 1/20 0.39
CHRNA9 Q9UGM1 1/20 0.39
HDAC4 P56524 1/20 0.38
KCNJ1 P48048 1/20 0.35
KCNH2 Q12809 1/20 0.35
NOTUM Q6P988 1/20 0.33
BRD4 O60885 2/20 0.33
GLRA3 O75311 1/20 0.33
GLRB P48167 1/20 0.33
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
ADRB3 P13945 1/20 0.32
CCNC P24863 1/20 0.31
CDK8 P49336 1/20 0.31
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
TRPM4 Q8TD43 1/20 0.30

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
SCHEMBL722557 0.82 LTA4H (0.64) LTA4HHPGDSCHRNA7CHRNA10CHRNA9
SCHEMBL28320605 0.80 LTA4H (0.62) LTA4HHPGDSCHRNA7CHRNA10CHRNA9
SCHEMBL28257875 0.80 LTA4H (0.62) LTA4HHPGDSCHRNA7CHRNA10CHRNA9
SCHEMBL28362996 0.80 LTA4H (0.62) LTA4HHPGDSCHRNA7CHRNA10CHRNA9
SCHEMBL6850726 0.77 LTA4H (0.45) LTA4HHPGDSCHRNA7CHRNA10CHRNA9
SCHEMBL6847950 0.77 LTA4H (0.45) LTA4HHPGDSCHRNA7CHRNA10CHRNA9
SCHEMBL28858725 0.77 NOTUM (0.56) LTA4HHPGDSCHRNA7CHRNA10CHRNA9
SCHEMBL27894650 0.77 LTA4H (0.51) LTA4HHPGDSCHRNA7CHRNA10CHRNA9
SCHEMBL676582 0.76 LTA4H (0.55) LTA4HHPGDSCHRNA7CHRNA10CHRNA9
SCHEMBL17704300 0.74 LTA4H (0.56) LTA4HHPGDSCHRNA7CHRNA10CHRNA9

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