SCHEMBL28050301

SCHEMBL28050301

CCCCCCCCC1(CCCCCCCC)CC(O)C1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.42
GUSB P08236 2/20 0.39
GBA1 P04062 1/20 0.38

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
SCHEMBL19032597 0.84 ALDH1A1 (0.46)
SCHEMBL17669644 0.81 CYP1A2 (0.39)
SCHEMBL17669642 0.81 CYP1A2 (0.39)
SCHEMBL25340168 0.80 GAA (0.41) GAA
SCHEMBL18670682 0.80 GAA (0.41) GAA
SCHEMBL19040783 0.79 CYP4F2 (0.32) GBA1
SCHEMBL11631537 0.73 GAA (0.42) GAAGBA1
SCHEMBL15662213 0.72 TSHR (0.47)
SCHEMBL28316297 0.72 TSHR (0.47)
SCHEMBL28008290 0.72 TSHR (0.47)

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
CN-105408330-A Novel aza-oxo-indoles for the treatment and prophylaxis of respiratory syncytial virus infection HOFFMANN LA ROCHE 2016-03-16 CN disclosed