SCHEMBL30138564

SCHEMBL30138564

C#C[C@]12O[C@H]1O[C@H](C(O)C(=O)c1ccc(C)cc1)[C@]2(O)C(=O)c1ccc(C)cc1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL1735822 1.00 SLC6A2 (0.32) SLC6A2SLC6A3
SCHEMBL9251530 0.72 LMNA (0.31)
SCHEMBL11383230 0.70 LMNA (0.36)
SCHEMBL10371759 0.68 CES2 (0.33)
SCHEMBL11104413 0.67 HPGD (0.33) SLC6A2SLC6A3
SCHEMBL16446965 0.67 HPGD (0.33) SLC6A2SLC6A3
SCHEMBL1799677 0.67 HPGD (0.33) SLC6A2SLC6A3
SCHEMBL8718896 0.67 HPGD (0.34)
SCHEMBL6142770 0.67 HPGD (0.33) SLC6A2SLC6A3
SCHEMBL9614440 0.67 HPGD (0.33) SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4138850-A1 ALKYNYL NUCLEOSIDE ANALOGS FOR TREATMENT OF HEPATITIS E Janssen Pharmaceuticals, Inc. (US) 2023-03-01 EP disclosed
WO-2021209425-A9 ALKYNYL NUCLEOSIDE ANALOGS FOR TREATMENT OF HEPATITIS E Janssen Pharmaceuticals, Inc. (US) 2022-12-22 WO disclosed