SCHEMBL9059968

SCHEMBL9059968

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.49
POLB P06746 1/20 0.46
HINT1 P49773 2/20 0.44
PNP P00491 2/20 0.43
P2RY2 P41231 1/20 0.43
P2RY4 P51582 1/20 0.43
P2RY6 Q15077 1/20 0.43
GSK3A P49840 2/20 0.43
RPS6KA3 P51812 2/20 0.43
MAPK14 Q16539 2/20 0.43
TLR7 Q9NYK1 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
STING1 Q86WV6 2/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
TYMP P19971 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
SCHEMBL8003285 0.86 POLB (0.51) TAAR1POLBHINT1PNPP2RY2
SCHEMBL9294597 0.83 TYMP (0.46) TAAR1POLBHINT1P2RY2P2RY4
SCHEMBL7999683 0.83 POLB (0.45) TAAR1POLBHINT1PNPP2RY2
SCHEMBL718291 0.83 POLB (0.48) TAAR1POLBHINT1PNPP2RY2
SCHEMBL6835146 0.83 TYMP (0.45) TAAR1POLBHINT1P2RY2P2RY4
SCHEMBL5355319 0.82 POLB (0.47) TAAR1POLBHINT1PNPP2RY2
SCHEMBL5360855 0.79 POLB (0.62) TAAR1POLBHINT1PNPP2RY2
SCHEMBL3779342 0.79 POLB (0.55) TAAR1POLBHINT1PNPP2RY2
SCHEMBL30712246 0.78 POLB (0.58) POLBPNPP2RY2P2RY4P2RY6
SCHEMBL29546691 0.77 POLB (0.57) POLBPNPP2RY2P2RY4P2RY6

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
EP-0490281-B1 3'- Amino or thiolmodified, fluorescence coupled nucleoside and oligonucleotide, a method for their preparation and their use HOECHST AG (DE) 1996-09-04 EP disclosed
EP-0490281-A1 3'- Amino or thiolmodified, fluorescence coupled nucleoside and oligonucleotide, a method for their preparation and their use HOECHST AKTIENGESELLSCHAFT (DE) 1992-06-17 EP disclosed