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SCHEMBL19987193

SCHEMBL19987193

CC(C)OC(=O)[C@H](C)NP(=O)(OC[C@H]1C2(C)O[C@H](n3cnc4c(N)nc(Cl)nc43)C(F)C12COP(=O)(N[C@@H](C)C(=O)OC(C)C)Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ NT5E P21589 13/20 0.41
▸ CD99 P14209 1/20 0.39
▸ PDE2A O00408 1/20 0.38

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
SCHEMBL19987199 0.96 NT5E (0.42) CYP3A4CYP2C9NT5ECD99PDE2A
SCHEMBL19987290 0.95 CYP3A4 (0.42) CYP3A4CYP2C9NT5ECD99PDE2A
SCHEMBL19987268 0.93 CYP3A4 (0.40) CYP3A4CYP2C9NT5ECD99PDE2A
SCHEMBL19987348 0.90 NT5E (0.47) NT5E
SCHEMBL19987210 0.90 CYP3A4 (0.40) CYP3A4CYP2C9NT5ECD99PDE2A
SCHEMBL19987284 0.87 CYP3A4 (0.39) CYP3A4CYP2C9NT5E
SCHEMBL19987205 0.87 CYP3A4 (0.41) CYP3A4CYP2C9NT5E
SCHEMBL19987313 0.87 NT5E (0.44) CYP3A4CYP2C9NT5ECD99PDE2A
SCHEMBL19987157 0.87 NT5E (0.44) CYP3A4CYP2C9NT5ECD99PDE2A
SCHEMBL19987215 0.85 CYP3A4 (0.40) CYP3A4CYP2C9NT5E

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