SCHEMBL6852157

SCHEMBL6852157

[CH2]CCc1ccc(-c2ncco2)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.49
KCNH2 Q12809 1/20 0.49
LTA4H P09960 11/20 0.47
CHRNA7 P36544 1/20 0.41
CHRNA10 Q9GZZ6 1/20 0.41
CHRNA9 Q9UGM1 1/20 0.41
HPGDS O60760 1/20 0.41
CES1 P23141 1/20 0.41
HDAC4 P56524 1/20 0.37
ADRB3 P13945 1/20 0.34

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
SCHEMBL6850602 0.85 LTA4H (0.50) KCNJ1KCNH2LTA4HCHRNA7CHRNA10
SCHEMBL17254244 0.82 KCNJ1 (0.49) KCNJ1KCNH2LTA4HCHRNA7CHRNA10
SCHEMBL27679590 0.82 KCNJ1 (0.49) KCNJ1KCNH2LTA4HCHRNA7CHRNA10
SCHEMBL722557 0.80 LTA4H (0.64) KCNJ1KCNH2LTA4HCHRNA7CHRNA10
SCHEMBL9094687 0.79 KCNJ1 (0.47) KCNJ1KCNH2LTA4HCHRNA7CHRNA10
SCHEMBL6852306 0.79 KCNJ1 (0.47) KCNJ1KCNH2LTA4HCHRNA7CHRNA10
SCHEMBL28330442 0.78 RAB9A (0.48) KCNJ1KCNH2LTA4HCHRNA7CHRNA10
SCHEMBL28225164 0.78 KCNJ1 (0.49) KCNJ1KCNH2LTA4HCHRNA7CHRNA10
SCHEMBL28362996 0.78 LTA4H (0.62) KCNJ1KCNH2LTA4HCHRNA7CHRNA10
SCHEMBL28257875 0.78 LTA4H (0.62) KCNJ1KCNH2LTA4HCHRNA7CHRNA10

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