SCHEMBL19987286

SCHEMBL19987286

CC(C)OC(O)[C@H](C)NP(=O)(OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)C1(C)COCc1ccccc1)Oc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ST6GAL1 P15907 10/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
P2RY12 Q9H244 2/20 0.35

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
SCHEMBL19987175 0.89 CYP3A4 (0.49) ST6GAL1CYP3A4CYP2C9P2RY12
SCHEMBL19987178 0.82 CYP3A4 (0.52) ST6GAL1CYP3A4CYP2C9
SCHEMBL19987304 0.81 CYP3A4 (0.36) CYP3A4CYP2C9
SCHEMBL19987174 0.80 CYP3A4 (0.45) ST6GAL1CYP3A4CYP2C9
SCHEMBL21511228 0.80 CYP3A4 (0.52) ST6GAL1CYP3A4CYP2C9
SCHEMBL19987255 0.80 CYP3A4 (0.52) ST6GAL1CYP3A4CYP2C9
SCHEMBL19987165 0.80 CYP3A4 (0.52) ST6GAL1CYP3A4CYP2C9
SCHEMBL19987320 0.78 CYP3A4 (0.51) CYP3A4CYP2C9P2RY12
SCHEMBL23348887 0.77 CYP3A4 (0.48) ST6GAL1CYP3A4CYP2C9
SCHEMBL21511218 0.77 CYP3A4 (0.48) ST6GAL1CYP3A4CYP2C9

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
WO-2018049535-A1 NUCLEOSIDE ANALOGUES AND METHODS OF USE THEREOF LCB PHARMA INC. (CA) 2018-03-22 WO disclosed