SCHEMBL6850862

SCHEMBL6850862

O=CCc1ccc(-c2ncco2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 12/20 0.47
▸ KCNJ1 P48048 1/20 0.46
▸ KCNH2 Q12809 1/20 0.46
▸ CHRNA7 P36544 1/20 0.44
▸ CHRNA10 Q9GZZ6 1/20 0.44
▸ CHRNA9 Q9UGM1 1/20 0.44
▸ HPGDS O60760 1/20 0.41
▸ HDAC4 P56524 1/20 0.40
▸ CES1 P23141 1/20 0.38
▸ ADRB3 P13945 1/20 0.36
▸ BRD4 O60885 1/20 0.35

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
SCHEMBL28225164 0.85 KCNJ1 (0.49) LTA4HKCNJ1KCNH2CHRNA7CHRNA10
SCHEMBL15018654 0.81 LTA4H (0.50) LTA4HKCNJ1KCNH2CHRNA7CHRNA10
SCHEMBL27594389 0.81 LTA4H (0.44) LTA4HKCNJ1KCNH2CHRNA7CHRNA10
SCHEMBL722557 0.80 LTA4H (0.64) LTA4HKCNJ1KCNH2CHRNA7CHRNA10
SCHEMBL6221648 0.80 HPGDS (0.44) LTA4HKCNJ1KCNH2HPGDSHDAC4
SCHEMBL28320605 0.78 LTA4H (0.62) LTA4HKCNJ1KCNH2CHRNA7CHRNA10
SCHEMBL28257875 0.78 LTA4H (0.62) LTA4HKCNJ1KCNH2CHRNA7CHRNA10
SCHEMBL28362996 0.78 LTA4H (0.62) LTA4HKCNJ1KCNH2CHRNA7CHRNA10
SCHEMBL10366022 0.78 LTA4H (0.50) LTA4HKCNJ1KCNH2CHRNA7CHRNA10
SCHEMBL5611162 0.78 LTA4H (0.50) LTA4HKCNJ1KCNH2CHRNA7CHRNA10

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
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