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SCHEMBL19987274

SCHEMBL19987274

CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@H]1C2(C)O[C@H](n3cc(F)c(N)nc3=O)C(F)(F)C12COP(=O)(N[C@@H](C)C(=O)OC(C)C)Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.49
▸ CYP2C9 P11712 2/20 0.49
▸ BTN3A1 O00481 6/20 0.39
▸ DCK P27707 3/20 0.32
▸ POLG P54098 1/20 0.30

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
SCHEMBL19987214 0.94 CYP3A4 (0.45) CYP3A4CYP2C9BTN3A1
SCHEMBL19987278 0.90 CYP3A4 (0.53) CYP3A4CYP2C9BTN3A1
SCHEMBL19987358 0.86 CYP3A4 (0.51) CYP3A4CYP2C9BTN3A1DCKPOLG
SCHEMBL19987180 0.86 CYP3A4 (0.51) CYP3A4CYP2C9BTN3A1DCKPOLG
SCHEMBL19987285 0.85 CYP3A4 (0.53) CYP3A4CYP2C9BTN3A1
SCHEMBL16435964 0.84 CYP3A4 (0.69) CYP3A4CYP2C9BTN3A1
SCHEMBL19026893 0.84 CYP3A4 (0.69) CYP3A4CYP2C9BTN3A1
SCHEMBL16435967 0.84 CYP3A4 (0.69) CYP3A4CYP2C9BTN3A1
SCHEMBL19026878 0.84 CYP3A4 (0.69) CYP3A4CYP2C9BTN3A1
SCHEMBL17620231 0.84 CYP3A4 (0.69) CYP3A4CYP2C9BTN3A1

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