SCHEMBL6854037

SCHEMBL6854037

O=CC#Cc1ccc(-c2cccs2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.44
ERN1 O75460 3/20 0.44
HDAC2 Q92769 1/20 0.42
GSK3B P49841 1/20 0.40
CYP17A1 P05093 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
KCNH2 Q12809 1/20 0.40
DPP4 P27487 1/20 0.38
LPL P06858 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
CYP2E1 P05181 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2A6 P11509 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2B6 P20813 1/20 0.37
FFAR1 O14842 1/20 0.37
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL10300120 0.83 LTA4H (0.55) LTA4HERN1HDAC2GSK3BCYP17A1
SCHEMBL12984926 0.81 HDAC2 (0.48) LTA4HERN1HDAC2GSK3BCYP17A1
SCHEMBL10300217 0.81 LTA4H (0.53) LTA4HERN1HDAC2GSK3BCYP17A1
SCHEMBL2552117 0.80 LTA4H (0.52) LTA4HERN1HDAC2GSK3BCYP17A1
SCHEMBL13247242 0.77 HDAC2 (0.54) LTA4HERN1HDAC2GSK3BCYP17A1
SCHEMBL6852436 0.77 LTA4H (0.48) LTA4HERN1HDAC2GSK3BCYP17A1
SCHEMBL16473175 0.77 CYP1A1 (0.53) LTA4HERN1HDAC2GSK3BCYP17A1
SCHEMBL1827527 0.76 LTA4H (0.52) LTA4HERN1HDAC2GSK3BCYP17A1
SCHEMBL338810 0.74 LTA4H (0.70) LTA4HERN1HDAC2GSK3BCYP17A1
SCHEMBL28967308 0.74 APP (0.48) LTA4HCYP17A1CYP11B1CYP11B2KCNH2

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