SCHEMBL881479

SCHEMBL881479

CCOC(=O)[C@H](Cc1ccccc1)NP(=O)(OC[C@H]1O[C@@](C#N)(c2ccc3c(N)ncnn23)[C@@H](C)[C@@H]1O)Oc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS2 O15393 1/20 0.36
▸ HPRT1 P00492 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP3A4 P08684 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ RIPK1 Q13546 2/20 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
SCHEMBL21342879 0.95 TMPRSS2 (0.41) TMPRSS2HPRT1ALDH1A1CYP3A4CYP2C9
SCHEMBL22342703 0.95 TMPRSS2 (0.41) TMPRSS2HPRT1ALDH1A1CYP3A4CYP2C9
SCHEMBL30001635 0.95 TMPRSS2 (0.41) TMPRSS2HPRT1ALDH1A1CYP3A4CYP2C9
SCHEMBL17719236 0.95 TMPRSS2 (0.41) TMPRSS2HPRT1ALDH1A1CYP3A4CYP2C9
SCHEMBL20882143 0.91 TMPRSS2 (0.36) TMPRSS2CYP3A4CYP2C9RIPK1
SCHEMBL881594 0.91 TMPRSS2 (0.35) TMPRSS2CYP3A4CYP2C9RIPK1
SCHEMBL882332 0.91 TMPRSS2 (0.35) TMPRSS2CYP3A4CYP2C9RIPK1
SCHEMBL24119262 0.90 TMPRSS2 (0.36) TMPRSS2CYP3A4CYP2C9RIPK1
SCHEMBL881592 0.90 TMPRSS2 (0.36) TMPRSS2CYP3A4CYP2C9RIPK1
SCHEMBL20882193 0.90 HPRT1 (0.37) HPRT1ALDH1A1CYP3A4CYP2C9RIPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3150608-A1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT Gilead Sciences, Inc. (US) 2017-04-05 — — EP disclosed
WO-2012039787-A1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-03-29 — — WO disclosed
WO-2012039791-A1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-03-29 — — WO disclosed
Send feedback