SCHEMBL6847950

SCHEMBL6847950

OCC#Cc1ccc(-c2ncco2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 7/20 0.45
CHRNA7 P36544 1/20 0.40
CHRNA10 Q9GZZ6 1/20 0.40
CHRNA9 Q9UGM1 1/20 0.40
MELK Q14680 1/20 0.40
HPGDS O60760 1/20 0.39
HDAC4 P56524 1/20 0.38
MMP2 P08253 1/20 0.37
MMP12 P39900 1/20 0.37
ALDH1A1 P00352 1/20 0.36
GLRA3 O75311 1/20 0.36
GLRB P48167 1/20 0.36
KCNJ1 P48048 1/20 0.36
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
ADRB3 P13945 1/20 0.35
TRPM4 Q8TD43 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
SCHEMBL722557 0.78 LTA4H (0.64) LTA4HCHRNA7CHRNA10CHRNA9HPGDS
SCHEMBL6852126 0.77 LTA4H (0.49) LTA4HCHRNA7CHRNA10CHRNA9HPGDS
SCHEMBL27894650 0.77 LTA4H (0.51) LTA4HCHRNA7CHRNA10CHRNA9HPGDS
SCHEMBL6847815 0.75 NOTUM (0.60) ALDH1A1
SCHEMBL6850508 0.75 ALDH1A1 (0.39) MELKMMP2MMP12ALDH1A1HRH3
SCHEMBL28320605 0.75 LTA4H (0.62) LTA4HCHRNA7CHRNA10CHRNA9HPGDS
SCHEMBL9672111 0.75 MMP2 (0.50) CHRNA7CHRNA10CHRNA9MELKMMP2
SCHEMBL28257875 0.75 LTA4H (0.62) LTA4HCHRNA7CHRNA10CHRNA9HPGDS
SCHEMBL28362996 0.75 LTA4H (0.62) LTA4HCHRNA7CHRNA10CHRNA9HPGDS
SCHEMBL3373791 0.75 LTA4H (0.50) LTA4HCHRNA7CHRNA10CHRNA9HPGDS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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