SCHEMBL4194797

SCHEMBL4194797

Cc1cn([C@H]2CC[C@@H](COC(=O)O)O2)c(=O)[nH]c1=O

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.55
TK1 P04183 4/20 0.50
RNASE1 P07998 1/20 0.50
LMNA P02545 2/20 0.49
TSHR P16473 2/20 0.49
ALB P02768 1/20 0.49
PKM P14618 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
CYP2D6 P10635 1/20 0.49
ABCG2 Q9UNQ0 3/20 0.48
ABCB1 P08183 1/20 0.48

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
SCHEMBL17804438 1.00 BCHE (0.55) BCHETK1RNASE1LMNATSHR
SCHEMBL13948027 0.91 BCHE (0.52) BCHETK1LMNAALBPKM
SCHEMBL12969489 0.91 BCHE (0.52) BCHETK1LMNAALBPKM
SCHEMBL9819384 0.91 BCHE (0.52) BCHETK1LMNAALBPKM
SCHEMBL24548453 0.89 BCHE (0.52) BCHETK1ABCG2ABCB1
SCHEMBL9355402 0.88 ABCG2 (0.52) BCHETK1ABCG2ABCB1
SCHEMBL27815893 0.88 ABCG2 (0.54) BCHETK1RNASE1ABCG2ABCB1
SCHEMBL13497253 0.87 BCHE (0.52) BCHETK1ABCG2ABCB1
SCHEMBL22992494 0.87 RNASE1 (0.60) BCHETK1RNASE1ABCG2ABCB1
SCHEMBL5054200 0.87 RNASE1 (0.60) BCHETK1RNASE1ABCG2ABCB1

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
US-7608402-B2 DNA methylation specific signal amplification LI WEIWEI 2009-10-27 US disclosed
US-20090181373-A1 DNA methylation specific signal amplification LI WEIWEI 2009-07-16 US disclosed