SCHEMBL3420575

SCHEMBL3420575

COc1cccc(CNc2cc(C)ccc2C)c1C

nearest known ligand 0.79

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.79
ALDH1A1 P00352 6/20 0.64
KDM4E B2RXH2 3/20 0.64
TSHR P16473 2/20 0.64
MAPK1 P28482 2/20 0.64
POLB P06746 2/20 0.64
CRHBP P24387 1/20 0.64
CRHR2 Q13324 1/20 0.64
MAPT P10636 7/20 0.63
LMNA P02545 3/20 0.63
L3MBTL1 Q9Y468 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPC1 O15118 1/20 0.45
HPGD P15428 2/20 0.45
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43

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
SCHEMBL3412565 0.87 ALDH1A1 (0.84) GAAALDH1A1KDM4ETSHRMAPK1
SCHEMBL3408380 0.78 ALDH1A1 (1.00) GAAALDH1A1KDM4ETSHRMAPK1
SCHEMBL3410106 0.78 GAA (0.81) GAAALDH1A1KDM4ETSHRMAPK1
SCHEMBL3409860 0.77 GAA (0.70) GAAALDH1A1KDM4ETSHRMAPK1
SCHEMBL14671911 0.77 GAA (0.70) GAAALDH1A1KDM4ETSHRMAPK1
SCHEMBL14886133 0.77 MAPT (0.72) GAAALDH1A1KDM4ETSHRMAPK1
SCHEMBL3412404 0.74 ALDH1A1 (0.74) GAAALDH1A1KDM4ETSHRMAPK1
SCHEMBL22910535 0.73 SLC6A4 (0.49) GAAALDH1A1KDM4ETSHRMAPK1
SCHEMBL11009626 0.71 ALDH1A1 (0.68) GAAALDH1A1KDM4ETSHRMAPK1
SCHEMBL25380870 0.71 MEN1 (0.54) GAAALDH1A1KDM4ETSHRMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011130707-A9 COMPOUNDS, COMPOSITIONS, AND METHODS FOR REDUCING OR ELIMINATING BITTER TASTE CHROMOCELL CORPORATION (US) 2012-01-05 WO disclosed
WO-2011130707-A2 COMPOUNDS, COMPOSITIONS, AND METHODS FOR REDUCING OR ELIMINATING BITTER TASTE CHROMOCELL CORPORATION (US) 2011-10-20 WO disclosed