SCHEMBL6850604

SCHEMBL6850604

OCC=Cc1ccc(-c2cccs2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.56
LTA4H P09960 1/20 0.49
TNFRSF1A P19438 2/20 0.47
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
CYP17A1 P05093 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
GSK3B P49841 1/20 0.43
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 2/20 0.41
RECQL P46063 1/20 0.41
ERN1 O75460 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL6850598 1.00 HDAC2 (0.56) HDAC2LTA4HTNFRSF1AHDAC3HDAC1
SCHEMBL13790222 0.83 HDAC2 (0.64) HDAC2LTA4HTNFRSF1AHDAC3HDAC1
SCHEMBL6853997 0.77 HDAC2 (0.57) HDAC2LTA4HTNFRSF1AHDAC3HDAC1
SCHEMBL16473173 0.77 HDAC2 (0.57) HDAC2LTA4HTNFRSF1AHDAC3HDAC1
SCHEMBL6847896 0.77 HDAC2 (0.57) HDAC2LTA4HTNFRSF1AHDAC3HDAC1
SCHEMBL5471588 0.75 HDAC2 (0.72) HDAC2TNFRSF1AHDAC3HDAC1GSK3B
SCHEMBL11827219 0.75 HDAC2 (0.72) HDAC2TNFRSF1AHDAC3HDAC1GSK3B
SCHEMBL338810 0.74 LTA4H (0.70) HDAC2LTA4HCYP17A1CYP11B1CYP11B2
SCHEMBL9276381 0.74 ALDH1A1 (0.62) LTA4HALDH1A1CYP3A4RECQLKDM4E
SCHEMBL9276383 0.74 ALDH1A1 (0.62) LTA4HALDH1A1CYP3A4RECQLKDM4E

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