SCHEMBL7201354

SCHEMBL7201354

CCCC(=O)O[C@H]1[C@@H](O)[C@H](n2cnc3c(=O)[nH]c(N)nc32)O[C@@H]1COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TYMP P19971 7/20 0.62
HINT1 P49773 7/20 0.51
HPGD P15428 1/20 0.49
GSK3A P49840 2/20 0.47
RPS6KA3 P51812 2/20 0.47
MAPK14 Q16539 2/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
TAAR1 Q96RJ0 1/20 0.45
NT5E P21589 1/20 0.44

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
SCHEMBL313747 0.95 TYMP (0.62) TYMPHINT1HPGDGSK3ARPS6KA3
SCHEMBL313746 0.95 TYMP (0.62) TYMPHINT1HPGDGSK3ARPS6KA3
SCHEMBL6420722 0.88 TYMP (0.79) TYMPHINT1HPGDGSK3ARPS6KA3
SCHEMBL8958859 0.87 TYMP (0.64) TYMPHINT1HPGDGSK3ARPS6KA3
SCHEMBL5960204 0.87 TYMP (0.69) TYMPHINT1HPGDGSK3ARPS6KA3
SCHEMBL18042134 0.86 TYMP (0.68) TYMPHINT1HPGDGSK3ARPS6KA3
SCHEMBL1738400 0.86 TYMP (0.68) TYMPHINT1HPGDGSK3ARPS6KA3
SCHEMBL16702978 0.86 TYMP (0.68) TYMPHINT1HPGDGSK3ARPS6KA3
SCHEMBL21905181 0.85 TYMP (0.67) TYMPHINT1HPGDGSK3ARPS6KA3
SCHEMBL28827051 0.84 TYMP (0.65) TYMPHINT1HPGDGSK3ARPS6KA3

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
US-20030087871-A1 Antisense modulation of caspase 9 expression ISIS PHARMACEUTICALS, INC. 2003-05-08 US disclosed
EP-0977767-A4 AMINOOXY-MODIFIED OLIGONUCLEOTIDES ISIS PHARMACEUTICALS INC (US) 2003-04-23 EP disclosed
EP-0977767-A1 AMINOOXY-MODIFIED OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 2000-02-09 EP disclosed
WO-1998035978-A1 AMINOOXY-MODIFIED OLIGONUCLEOTIDES ISIS PHARMACEUTICALS, INC. (US) 1998-08-20 WO disclosed