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Sugi Predict / Compounds / SCHEMBL12066944

SCHEMBL12066944

SCHEMBL12066944

CC(C)OC(=O)[C@@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](c2ccc3c(N)ncnn23)[C@](C)(O)[C@@H]1OC(=O)C(C)C)Oc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ BTN3A1 O00481 6/20 0.39
▸ RIPK1 Q13546 1/20 0.31
▸ POLRMT O00411 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
SCHEMBL12066943 1.00 CYP3A4 (0.47) CYP3A4CYP2C9BTN3A1RIPK1POLRMT
SCHEMBL12067528 0.94 CYP3A4 (0.40) CYP3A4CYP2C9BTN3A1
SCHEMBL12067501 0.91 CYP3A4 (0.38) CYP3A4CYP2C9BTN3A1RIPK1POLRMT
SCHEMBL12066945 0.89 CYP3A4 (0.33) CYP3A4CYP2C9POLRMT
SCHEMBL12066946 0.89 CYP3A4 (0.33) CYP3A4CYP2C9POLRMT
SCHEMBL12068827 0.87 CYP3A4 (0.33) CYP3A4CYP2C9BTN3A1RIPK1POLRMT
SCHEMBL26334431 0.87 CYP3A4 (0.45) CYP3A4CYP2C9BTN3A1RIPK1POLRMT
SCHEMBL10119994 0.85 CYP3A4 (0.45) CYP3A4CYP2C9BTN3A1POLRMT
SCHEMBL25013428 0.85 CYP3A4 (0.43) CYP3A4CYP2C9BTN3A1RIPK1
SCHEMBL17129854 0.85 CYP3A4 (0.50) CYP3A4CYP2C9BTN3A1POLRMT

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-2011150288-A1 1'-SUBSTITUTED-CARBA-NUCLEOSIDE PRODRUGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2011-12-01 — — WO disclosed
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