SCHEMBL8669174

SCHEMBL8669174

COc1ccccc1C(c1ccccc1)(c1ccccc1OC)C(O)[C@H]1O[C@@H](n2cnc3c(=O)[nH]c(N)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.51
HINT1 P49773 5/20 0.48
GSK3A P49840 2/20 0.46
RPS6KA3 P51812 2/20 0.46
MAPK14 Q16539 2/20 0.46
NT5E P21589 1/20 0.45
TYMP P19971 2/20 0.43
HPGD P15428 1/20 0.43
PNP P00491 1/20 0.43
STING1 Q86WV6 2/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
TGM2 P21980 1/20 0.42

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
SCHEMBL10904154 0.90 TAAR1 (0.57) TAAR1HINT1GSK3ARPS6KA3MAPK14
SCHEMBL7100209 0.90 TYMP (0.54) TAAR1HINT1GSK3ARPS6KA3MAPK14
SCHEMBL2115345 0.88 TAS1R3 (0.52) TAAR1HINT1TYMP
SCHEMBL8916727 0.86 POLB (0.45) TAAR1HINT1GSK3ARPS6KA3MAPK14
SCHEMBL441420 0.86 TAS1R3 (0.44) TAAR1HINT1TYMP
SCHEMBL2116135 0.86 TYMP (0.38) TAAR1HINT1TYMPHPGD
SCHEMBL5580212 0.83 ADORA1 (0.55)
SCHEMBL8602348 0.81 TYMP (0.48) TAAR1HINT1GSK3ARPS6KA3MAPK14
SCHEMBL2111737 0.81 PRMT5 (0.45) TYMP
SCHEMBL8431261 0.80 TAAR1 (0.54) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0405913-B1 Hydrophobic nucleic acid probe CHIRON CORP (US) 1998-12-23 EP disclosed
US-5702893-A BINDING TARGET POLYNUCLEOTIDE IN SAMPLE USING AS ASSAY REAGENT SUBSTRATE HAVING POLYNUCLEOTIDE CAPTURE PROBE BOUND THERETO BY HYDROPHOBIC MOIETY, HYBRIDIZING CHIRON CORPORATION (US) 1997-12-30 US disclosed
US-5552280-A Hydrophobic nucleic acid probes CHIRON CORPORATION (US) 1996-09-03 US disclosed
WO-1991000288-A1 HYDROPHOBIC NUCLEIC ACID PROBE CHIRON CORP (US) 1991-01-10 WO disclosed
EP-0405913-A2 Hydrophobic nucleic acid probe CHIRON CORPORATION (US) 1991-01-02 EP disclosed