SCHEMBL22907211

SCHEMBL22907211

CC(C)(C)OC(=O)CC1CC(OCC#Cc2ccc(O)cn2)C1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.34
MIF P14174 1/20 0.33
GRM5 P41594 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
SCHEMBL20120567 0.80 PRMT5 (0.39) HCAR2GRM5
SCHEMBL29773839 0.80 PRMT5 (0.39) HCAR2GRM5
SCHEMBL20129151 0.73 HCAR2 (0.40) HCAR2GRM5
SCHEMBL18101462 0.69 FFAR1 (0.41)
SCHEMBL20213850 0.68 KDM4C (0.40) HCAR2GRM5
SCHEMBL29547563 0.68 KDM4C (0.40) HCAR2GRM5
SCHEMBL20120643 0.68 KDM4C (0.40) HCAR2GRM5
SCHEMBL4178339 0.63 ESR1 (0.41) MIF
SCHEMBL30824737 0.63 GPR119 (0.47)
SCHEMBL22369545 0.62 MIF (0.34) MIF

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-2021011913-A1 TAU-PROTEIN TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2021-01-21 WO disclosed