SCHEMBL8458450

SCHEMBL8458450

CCCCCCCCCCCCCCCCCO[PH](O)(O)C(OC)(OC)C(C#N)(N(C(C)C)C(C)C)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL8461164 1.00 EBP (0.32) EBPSIGMAR1CYP3A4CYP2D6
SCHEMBL8459836 0.78 CYP3A4 (0.31) CYP3A4CYP2D6
SCHEMBL8459059 0.69 CYP3A4 (0.31) CYP3A4CYP2D6
SCHEMBL8458386 0.65
SCHEMBL8460474 0.64 CYP3A4 (0.30) CYP3A4CYP2D6
SCHEMBL34465344 0.59 ALDH1A1 (0.40) CYP3A4
SCHEMBL22499776 0.59 TSHR (0.45) CYP3A4
SCHEMBL10439946 0.59 TSHR (0.45) CYP3A4
SCHEMBL10825927 0.59 TSHR (0.45) CYP3A4
SCHEMBL27468392 0.59 TSHR (0.45) CYP3A4

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