SCHEMBL8458487

SCHEMBL8458487

COC(OC)(C(C#N)(N(C(C)C)C(C)C)C(c1ccccc1)(c1ccccc1)c1ccccc1)P(O)(O)(O)CCCn1cnc2cncnc21

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.37
ADAMTS5 Q9UNA0 1/20 0.32
FDPS P14324 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31

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
SCHEMBL8458386 0.80
SCHEMBL8460922 0.78 DUT (0.42)
SCHEMBL8460047 0.76 TK2 (0.45)
SCHEMBL8460546 0.74 TAAR1 (0.35) TAAR1
SCHEMBL8458624 0.73 TAAR1 (0.34) TAAR1
SCHEMBL7140650 0.71 LTA4H (0.35) LTA4HFDPS
SCHEMBL8459849 0.68
SCHEMBL7149262 0.67 FDPS (0.46) LTA4HFDPS
SCHEMBL8461363 0.67
SCHEMBL1742012 0.61 FDPS (0.49) LTA4HFDPSTAAR1

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-5886177-A ETHYLENE GLYCOL MONOMERS JOINED VIA STANDARD PHOSPHATE LINKAGES INCLUDING PHOSPHOROTHIOATE, PHOSPHODIESTER, AND PHOSPHORAMIDATE LINKAGES; USEFUL FUNCTIONAL GROUPS INCLUDE NUCLEOBASES AS WELL AS POLAR GROUPS, HYDROPHOBIC GROUPS ISIS PHARMACEUTICALS, INC. (US) 1999-03-23 US disclosed