SCHEMBL6850602

SCHEMBL6850602

[CH2]Cc1ccc(-c2ncco2)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 12/20 0.50
KCNJ1 P48048 1/20 0.45
KCNH2 Q12809 1/20 0.45
HPGDS O60760 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA10 Q9GZZ6 1/20 0.43
CHRNA9 Q9UGM1 1/20 0.43
HDAC4 P56524 1/20 0.38
CES1 P23141 1/20 0.36
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
SCHEMBL6852157 0.85 KCNJ1 (0.49) LTA4HKCNJ1KCNH2HPGDSCHRNA7
SCHEMBL722557 0.83 LTA4H (0.64) LTA4HKCNJ1KCNH2HPGDSCHRNA7
SCHEMBL676582 0.82 LTA4H (0.55) LTA4HKCNJ1KCNH2HPGDSCHRNA7
SCHEMBL28362996 0.81 LTA4H (0.62) LTA4HKCNJ1KCNH2HPGDSCHRNA7
SCHEMBL28257875 0.81 LTA4H (0.62) LTA4HKCNJ1KCNH2HPGDSCHRNA7
SCHEMBL28320605 0.81 LTA4H (0.62) LTA4HKCNJ1KCNH2HPGDSCHRNA7
SCHEMBL372827 0.81 LTA4H (0.50) LTA4HKCNJ1KCNH2HPGDSCHRNA7
SCHEMBL15018654 0.81 LTA4H (0.50) LTA4HKCNJ1KCNH2HPGDSCHRNA7
SCHEMBL3373791 0.81 LTA4H (0.50) LTA4HKCNJ1KCNH2HPGDSCHRNA7
SCHEMBL8239613 0.81 LTA4H (0.50) LTA4HKCNJ1KCNH2HPGDSCHRNA7

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