SCHEMBL25713175

SCHEMBL25713175

CC(NP(OCC1CCC(N(C)/C=C\C(=O)NC=O)O1)Oc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 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
SCHEMBL26147071 1.00 CYP1A2 (0.31) CYP1A2
SCHEMBL25711315 0.92 CYP1A2 (0.32) CYP1A2
SCHEMBL25719714 0.92 CYP1A2 (0.32) CYP1A2
SCHEMBL25718641 0.87
SCHEMBL25723722 0.87
SCHEMBL25713203 0.82 CYP1A2 (0.33) CYP1A2
SCHEMBL25717467 0.82 BTN3A1 (0.30)
SCHEMBL25724785 0.81 BTN3A1 (0.37) CYP1A2
SCHEMBL25720458 0.79
SCHEMBL25719700 0.78

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-3131914-B1 3'-SUBSTITUTED METHYL OR ALKYNYL NUCLEOSIDES FOR THE TREATMENT OF HCV IDENIX PHARMACEUTICALS LLC (US) 2023-05-10 EP disclosed