SCHEMBL29953489

SCHEMBL29953489

OB(O)c1cccc(OC2CCOC2)n1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 2/20 0.35
GRM5 P41594 2/20 0.35
LRRK2 Q5S007 4/20 0.34
EGFR P00533 3/20 0.34
ITK Q08881 2/20 0.34
GRM4 Q14833 2/20 0.33
KRAS P01116 1/20 0.33
SOS1 Q07889 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
KCNH2 Q12809 1/20 0.33
PDE4A P27815 3/20 0.33
PDE4B Q07343 3/20 0.33
PDE4C Q08493 3/20 0.33
PDE4D Q08499 3/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33

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
SCHEMBL29956235 0.81 FFAR4 (0.41) KCNH2
SCHEMBL29954929 0.81 FFAR4 (0.40) KCNH2
SCHEMBL29955946 0.80 FFAR4 (0.40) KCNH2
SCHEMBL5343908 0.79 MCHR1 (0.41) FFAR2GRM5LRRK2GRM4KRAS
SCHEMBL15086913 0.79 LRRK2 (0.41) GRM5LRRK2KRASSOS1
SCHEMBL23967036 0.79 LRRK2 (0.39) FFAR2GRM5LRRK2EGFRITK
SCHEMBL23967190 0.79 KCNH2 (0.37) FFAR2GRM5LRRK2EGFRITK
SCHEMBL5338247 0.79 KCNH2 (0.37) FFAR2GRM5LRRK2EGFRITK
SCHEMBL25409208 0.75 IRAK4 (0.41) FFAR2SOS1CYP3A4CYP2D6CYP2C19
SCHEMBL20889905 0.75 CHEK1 (0.38) GRM5LRRK2KRASSOS1PDE4A

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed