SCHEMBL7644145

SCHEMBL7644145

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.44
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
HINT1 P49773 9/20 0.40
ALDH1A1 P00352 1/20 0.38
GSK3A P49840 2/20 0.37
RPS6KA3 P51812 2/20 0.37
MAPK14 Q16539 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PNP P00491 1/20 0.36

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
SCHEMBL7095544 0.86 TAS1R3 (0.48) TAAR1TAS1R3TAS1R1HINT1GSK3A
SCHEMBL7647098 0.85 TAAR1 (0.47) TAAR1TAS1R3TAS1R1HINT1ALDH1A1
SCHEMBL9790922 0.75 ADORA1 (0.49) KMT2A
SCHEMBL10904154 0.74 TAAR1 (0.57) TAAR1HINT1GSK3ARPS6KA3MAPK14
SCHEMBL7100209 0.73 TYMP (0.54) TAAR1HINT1GSK3ARPS6KA3MAPK14
SCHEMBL313746 0.73 TYMP (0.62) TAS1R3TAS1R1HINT1GSK3ARPS6KA3
SCHEMBL313747 0.73 TYMP (0.62) TAS1R3TAS1R1HINT1GSK3ARPS6KA3
SCHEMBL312926 0.72 HINT1 (0.59) TAS1R3TAS1R1HINT1ALDH1A1GSK3A
SCHEMBL312927 0.72 HINT1 (0.59) TAS1R3TAS1R1HINT1ALDH1A1GSK3A
SCHEMBL8669174 0.71 TAAR1 (0.51) TAAR1HINT1GSK3ARPS6KA3MAPK14

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
US-6498035-B1 METHODS ARE PROVIDED FOR MODULATING THE EXPRESSION OF MEKK3. THE COMPOSITIONS COMPRISE ANTISENSE COMPOUNDS, PARTICULARLY ANTISENSE OLIGONUCLEOTIDES, TARGETED TO NUCLEIC ACIDS ENCODING MEKK3. ISIS PHARMACEUTICALS, INC. 2002-12-24 US disclosed