SCHEMBL7608037

SCHEMBL7608037

COCC[C@@]1(n2cc(C)c(=O)[nH]c2=O)O[C@H](CO)[C@@H](ON)[C@H]1O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TK1 P04183 5/20 0.36
TK2 O00142 2/20 0.35
TYMP P19971 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
ALB P02768 1/20 0.35
POLB P06746 1/20 0.35
ADRA1A P35348 1/20 0.35
BLM P54132 1/20 0.35

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
SCHEMBL4342615 0.88 TK1 (0.39) TK1TK2TYMPALDH1A1LMNA
SCHEMBL7025013 0.82 TK1 (0.38) TK1TK2TYMPALDH1A1LMNA
SCHEMBL3397223 0.78 TK1 (0.39) TK1TK2TYMPALDH1A1LMNA
SCHEMBL13387567 0.77 TK1 (0.44) TK1TK2TYMPALDH1A1LMNA
SCHEMBL6753364 0.76 TK1 (0.41) TK1TK2TYMPALDH1A1LMNA
SCHEMBL29597386 0.76 TK1 (0.39) TK1TYMPALDH1A1
SCHEMBL2877649 0.74 TK1 (0.43) TK1TK2TYMPALDH1A1LMNA
SCHEMBL27043055 0.73 TK2 (0.39) TK1TK2TYMPALDH1A1LMNA
SCHEMBL28182722 0.73 TK2 (0.46) TK1TK2ALDH1A1LMNAALB
SCHEMBL8053437 0.73 TK1 (0.42) TK1TK2TYMPALDH1A1LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1185305-A1 LIGAND-CONJUGATED OLIGOMERIC COMPOUNDS ISIS PHARMACEUTICALS, INC. (US) 2002-03-13 EP disclosed
WO-2000076554-A1 LIGAND-CONJUGATED OLIGOMERIC COMPOUNDS ISIS PHARMACEUTICALS, INC. (US) 2000-12-21 WO disclosed