SCHEMBL20078697

SCHEMBL20078697

CC(C)OC(=O)[C@H](Cc1ccccc1)NP(=O)(OC[C@@H]1C[C@@H](O)[C@](CC#N)(c2ccc3c(N)ncnn23)O1)Oc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADCY2 Q08462 1/20 0.35
▸ SERPINA3 P01011 1/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ BTN3A1 O00481 1/20 0.32
▸ RIPK1 Q13546 2/20 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
SCHEMBL20078676 0.85 HPRT1 (0.35) RIPK1
SCHEMBL17712309 0.84 TMPRSS2 (0.40) ADCY2SERPINA3CYP3A4CYP2C9BTN3A1
SCHEMBL17712307 0.84 TMPRSS2 (0.40) ADCY2SERPINA3CYP3A4CYP2C9BTN3A1
SCHEMBL22342700 0.84 TMPRSS2 (0.40) ADCY2SERPINA3CYP3A4CYP2C9BTN3A1
SCHEMBL24975950 0.83 CYP3A4 (0.39) ADCY2SERPINA3CYP3A4CYP2C9BTN3A1
SCHEMBL18636394 0.83 CYP3A4 (0.39) ADCY2SERPINA3CYP3A4CYP2C9BTN3A1
SCHEMBL18667027 0.82 CYP3A4 (0.36) ADCY2SERPINA3CYP3A4CYP2C9BTN3A1
SCHEMBL20078687 0.80 SERPINA3 (0.33) ADCY2SERPINA3RIPK1
SCHEMBL19223220 0.80 CYP3A4 (0.36) ADCY2SERPINA3CYP3A4CYP2C9BTN3A1
SCHEMBL26283274 0.79 POLRMT (0.41) ADCY2SERPINA3CYP3A4CYP2C9BTN3A1

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
US-9949994-B2 Methods for treating Filoviridae virus infections GILEAD SCIENCES, INC. (US) 2018-04-24 — — US disclosed
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