SCHEMBL8008250

SCHEMBL8008250

COC1(OC)[C@H](O)[C@@H](CO)O[C@]1(n1ccc(NCCCN)nc1=O)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
POLB P06746 1/20 0.31
ABL1 P00519 1/20 0.30
RIN1 Q13671 1/20 0.30
P2RY2 P41231 1/20 0.30

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
SCHEMBL9083312 0.83 PDE3A (0.39) POLB
SCHEMBL10381694 0.81 ABL1 (0.38) POLBABL1RIN1
SCHEMBL5031652 0.77
SCHEMBL5954790 0.72
SCHEMBL5034927 0.72 ABL1 (0.37) POLBABL1RIN1
SCHEMBL3810729 0.71 HPGD (0.42)
SCHEMBL29414069 0.70 LMNA (0.37)
SCHEMBL6382374 0.70 SLC28A1 (0.35)
SCHEMBL7908351 0.70 TK2 (0.35)
SCHEMBL1706308 0.69 RNASE1 (0.39)

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-2000031102-A1 OLIGONUCLEOTIDE CONJUGATION LINK TECHNOLOGIES LIMITED (GB) 2000-06-02 WO disclosed