SCHEMBL7095544

SCHEMBL7095544

CCCC(=O)O[C@@H]1[C@H](O)[C@@H](COC(C2=CCC(OC)(OC)C=C2)(c2ccccc2)c2ccccc2)O[C@H]1n1cnc2c(=O)[nH]c(N)nc21

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
HINT1 P49773 9/20 0.46
TYMP P19971 5/20 0.45
GSK3A P49840 2/20 0.43
RPS6KA3 P51812 2/20 0.43
MAPK14 Q16539 2/20 0.43
TAAR1 Q96RJ0 1/20 0.42
PNP P00491 1/20 0.41
NT5E P21589 1/20 0.40

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
SCHEMBL7644145 0.86 TAAR1 (0.44) TAS1R3TAS1R1HINT1GSK3ARPS6KA3
SCHEMBL313746 0.85 TYMP (0.62) TAS1R3TAS1R1HINT1TYMPGSK3A
SCHEMBL313747 0.85 TYMP (0.62) TAS1R3TAS1R1HINT1TYMPGSK3A
SCHEMBL7201354 0.80 TYMP (0.62) TAS1R3TAS1R1HINT1TYMPGSK3A
SCHEMBL29673061 0.78 TYMP (0.44) TAS1R3TAS1R1HINT1TYMPTAAR1
SCHEMBL34234 0.77 TYMP (0.64) TAS1R3TAS1R1HINT1TYMPGSK3A
SCHEMBL312927 0.76 HINT1 (0.59) TAS1R3TAS1R1HINT1GSK3ARPS6KA3
SCHEMBL312926 0.76 HINT1 (0.59) TAS1R3TAS1R1HINT1GSK3ARPS6KA3
SCHEMBL31611267 0.76 TAS1R3 (0.42) TAS1R3TAS1R1HINT1TYMPTAAR1
SCHEMBL1738400 0.76 TYMP (0.68) TAS1R3TAS1R1HINT1TYMPGSK3A

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-20030224513-A1 Antisense modulation of Notch1 expression ISIS PHARMACEUTICALS INC. 2003-12-04 US disclosed
WO-2003099840-A1 OLIGONUCLEOTIDES HAVING MODIFIED NUCLEOSIDE UNITS ISIS PHARMACEUTICALS, INC. (US) 2003-12-04 WO disclosed