SCHEMBL8003522

SCHEMBL8003522

Cc1cn([C@]2(C(C)OCCCl)O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]c1=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
ALB P02768 2/20 0.37
BLM P54132 2/20 0.37
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
ADRA1A P35348 1/20 0.37
TK1 P04183 5/20 0.37
TK2 O00142 2/20 0.35
TSHR P16473 2/20 0.35
PKM P14618 1/20 0.35
PMP22 Q01453 1/20 0.35
CYP2D6 P10635 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
SCHEMBL6909597 0.90 TK2 (0.38) LMNAALBBLMALDH1A1POLB
SCHEMBL7084531 0.89 LMNA (0.40) LMNAALBBLMALDH1A1POLB
SCHEMBL7025003 0.87 LMNA (0.39) LMNAALBBLMALDH1A1POLB
SCHEMBL6663227 0.85 TK1 (0.39) LMNAALBBLMALDH1A1POLB
SCHEMBL28072298 0.76 TK1 (0.43) LMNAALBBLMALDH1A1POLB
SCHEMBL27349255 0.76 TK1 (0.42) LMNAALBBLMALDH1A1POLB
SCHEMBL18642515 0.75 TK1 (0.46) POLBTK1
SCHEMBL1825757 0.75 TK1 (0.43) LMNAALBBLMALDH1A1POLB
SCHEMBL12658380 0.75 TK1 (0.43) LMNAALBBLMALDH1A1POLB
SCHEMBL8904559 0.75 TK1 (0.43) LMNAALBBLMALDH1A1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000008214-A1 OLIGONUCLEOTIDE ANALOGS HAVING MODIFIED DIMERS ISIS PHARMACEUTICALS, INC. (US) 2000-02-17 WO disclosed