SCHEMBL7654643

SCHEMBL7654643

COCCOOC[C@H]1O[C@@H](n2cc(C)c(N)nc2=O)[C@H](O)[C@@H]1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY6 Q15077 4/20 0.43
P2RY2 P41231 3/20 0.43
ADK P55263 2/20 0.42
ADORA3 P0DMS8 1/20 0.42
LMNA P02545 2/20 0.42
MTOR P42345 2/20 0.42
THRB P10828 1/20 0.42
MDM2 Q00987 1/20 0.42
NCOA1 Q15788 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
GMNN O75496 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
NFKB1 P19838 1/20 0.42
DNMT1 P26358 1/20 0.42
THPO P40225 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
BLM P54132 1/20 0.42
HBB P68871 1/20 0.42

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
SCHEMBL2534936 0.91 P2RY2 (0.43) P2RY6P2RY2ADKADORA3LMNA
SCHEMBL21998920 0.89 ADK (0.52) P2RY6P2RY2ADKADORA3LMNA
SCHEMBL1684799 0.89 ADK (0.52) P2RY6P2RY2ADKADORA3LMNA
SCHEMBL234387 0.85 LMNA (0.46) P2RY6P2RY2ADKADORA3LMNA
SCHEMBL21999788 0.83 ADK (0.40) P2RY6P2RY2ADKADORA3ALDH1A1
SCHEMBL3504116 0.83 FBP1 (0.57) P2RY6P2RY2P2RY4
SCHEMBL14946157 0.83 FBP1 (0.57) P2RY6P2RY2P2RY4
SCHEMBL17809090 0.83 FBP1 (0.57) P2RY6P2RY2P2RY4
SCHEMBL903054 0.83 FBP1 (0.57) P2RY6P2RY2P2RY4
SCHEMBL5955214 0.83 ADORA3 (0.45) P2RY6ADORA3LMNAMTORTHRB

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
JP-2002531378-A 2002-09-24 JP claimed
EP-1071699-A4 ENHANCED ANTISENSE MODULATION OF ICAM-1 ISIS PHARMACEUTICALS INC (US) 2002-05-29 EP claimed
EP-1071699-A1 ENHANCED ANTISENSE MODULATION OF ICAM-1 ISIS PHARMACEUTICALS, INC. (US) 2001-01-31 EP claimed
WO-1999054341-A1 ENHANCED ANTISENSE MODULATION OF ICAM-1 ISIS PHARMACEUTICALS, INC. (US) 1999-10-28 WO claimed