SCHEMBL31684102

SCHEMBL31684102

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

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ TMPRSS2 O15393 1/20 0.31
▸ RIPK1 Q13546 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
SCHEMBL31684067 1.00 CYP3A4 (0.32) CYP3A4CYP2C9TMPRSS2RIPK1
SCHEMBL31684142 0.96 CYP3A4 (0.30) CYP3A4CYP2C9
SCHEMBL30939764 0.96 CYP3A4 (0.30) CYP3A4CYP2C9
SCHEMBL31684108 0.96 CYP3A4 (0.30) CYP3A4CYP2C9
SCHEMBL31684210 0.92 TMPRSS2 (0.30) TMPRSS2
SCHEMBL30939767 0.92 TMPRSS2 (0.30) TMPRSS2
SCHEMBL31684183 0.92 TMPRSS2 (0.30) TMPRSS2
SCHEMBL30491102 0.92 BTN3A1 (0.35) CYP3A4CYP2C9TMPRSS2RIPK1
SCHEMBL31684199 0.90 — —
SCHEMBL30939830 0.90 — —

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
EP-4617278-A1 NUCLEOTIDE ANALOG, AND COMPOSITION AND USE THEREOF Shenzhen TargetRx, Inc. (CN) 2025-09-17 — — EP disclosed
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