SCHEMBL6847896

SCHEMBL6847896

[CH2]/C=C/c1ccc(-c2cccs2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.57
LTA4H P09960 1/20 0.48
GSK3B P49841 1/20 0.46
TNFRSF1A P19438 2/20 0.44
CYP17A1 P05093 1/20 0.43
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
KCNH2 Q12809 1/20 0.43
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
CYP2C9 P11712 3/20 0.40
ERN1 O75460 1/20 0.40
CYP2E1 P05181 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2B6 P20813 1/20 0.40
LPL P06858 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 4/20 0.39

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
SCHEMBL6853997 1.00 HDAC2 (0.57) HDAC2LTA4HGSK3BTNFRSF1ACYP17A1
SCHEMBL13790222 0.88 HDAC2 (0.64) HDAC2LTA4HGSK3BTNFRSF1ACYP17A1
SCHEMBL16473173 0.81 HDAC2 (0.57) HDAC2LTA4HGSK3BTNFRSF1ACYP17A1
SCHEMBL389830 0.80 LTA4H (0.52) HDAC2LTA4HGSK3BTNFRSF1ACYP17A1
SCHEMBL338810 0.78 LTA4H (0.70) HDAC2LTA4HGSK3BCYP17A1CYP11B1
SCHEMBL13247242 0.78 HDAC2 (0.54) HDAC2LTA4HGSK3BTNFRSF1ACYP17A1
SCHEMBL6874614 0.78 HDAC2 (0.58) HDAC2LTA4HGSK3BTNFRSF1ACYP17A1
SCHEMBL6874619 0.78 HDAC2 (0.58) HDAC2LTA4HGSK3BTNFRSF1ACYP17A1
SCHEMBL6853994 0.77 HDAC2 (0.49) HDAC2LTA4HGSK3BTNFRSF1ACYP17A1
SCHEMBL6850598 0.77 HDAC2 (0.56) HDAC2LTA4HGSK3BTNFRSF1ACYP17A1

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