SCHEMBL6852556

SCHEMBL6852556

O=CCc1ccc(-c2nnco2)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 8/20 0.55
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
TP53 P04637 3/20 0.48
MAPT P10636 4/20 0.47
LMNA P02545 3/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 2/20 0.47
TLR8 Q9NR97 1/20 0.47
HPGD P15428 3/20 0.47
TSHR P16473 3/20 0.47
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL20906426 0.84 NOTUM (0.53) NOTUMNPC1RAB9ATP53MAPT
SCHEMBL27612896 0.81 NOTUM (0.50) NOTUMNPC1RAB9ATP53MAPT
SCHEMBL17694561 0.80 NOTUM (0.78) NOTUMTP53MAPTLMNAKDM4E
SCHEMBL2610163 0.78 NOTUM (0.75) NOTUMTP53MAPTLMNAKDM4E
SCHEMBL27510411 0.78 NOTUM (0.58) NOTUMNPC1RAB9ATP53MAPT
SCHEMBL6385026 0.78 NOTUM (0.58) NOTUMNPC1RAB9ATP53MAPT
SCHEMBL27687736 0.78 NOTUM (0.58) NOTUMNPC1RAB9ATP53MAPT
SCHEMBL13563333 0.78 NOTUM (0.63) NOTUMNPC1RAB9ATP53MAPT
SCHEMBL6851980 0.78 NOTUM (0.58) NOTUMTP53MAPTLMNAKDM4E
SCHEMBL30139291 0.74 NOTUM (0.58) NOTUMNPC1RAB9ATP53MAPT

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