SCHEMBL9977804

SCHEMBL9977804

C=C(O)[C@@]1(C)CCCCC1C

nearest known ligand 0.41

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MAPT P10636 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
SCHEMBL3384400 0.78 FFAR3 (0.37)
SCHEMBL17191519 0.78 FFAR3 (0.37)
SCHEMBL2015443 0.78 FFAR3 (0.37)
SCHEMBL5540894 0.77 LMNA (0.37)
SCHEMBL14206624 0.77 CNR1 (0.33)
SCHEMBL11518961 0.74 ALDH1A1 (0.41) MAPT
SCHEMBL17608631 0.72 NOS2 (0.34)
SCHEMBL3347705 0.72 EPHX1 (0.38)
SCHEMBL27745193 0.72 CNR1 (0.31) MAPT
Hydrogen Peroxide SCHEMBL27561732 0.72 GAA (0.38) MAPT

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
WO-2012083117-A1 INHIBITORS OF INFLUENZA VIRUSES REPLICATION VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-21 WO disclosed