SCHEMBL24371973

SCHEMBL24371973

COC(COP(N[C@@H](C)C(=O)OC(C)C)Oc1ccccc1)[C@H](O)C(C)(O)N(C)/C=C\C(=O)NC=S

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BTN3A1 O00481 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
SCHEMBL22003790 0.74
SCHEMBL24371960 0.73 CYP3A4 (0.30)
SCHEMBL24371399 0.73 CYP3A4 (0.33)
SCHEMBL23890225 0.71 BTN3A1 (0.39) BTN3A1
SCHEMBL19187813 0.71
SCHEMBL23348838 0.70 BTN3A1 (0.36) BTN3A1
SCHEMBL19157537 0.69
SCHEMBL19352371 0.69 CYP3A4 (0.36) BTN3A1
SCHEMBL22889179 0.68 BTN3A1 (0.30) BTN3A1
SCHEMBL24371576 0.68 CYP3A4 (0.32)

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-3043803-B1 NUCLEOTIDE AND NUCLEOSIDE COMPOSITIONS AND THEIR USES UNIV EMORY (US) 2022-04-27 EP disclosed