SCHEMBL7950971

SCHEMBL7950971

COC(=O)c1cc(-c2ccc(C)cc2N)cc(-c2ccccc2CO)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.39
CYP46A1 Q9Y6A2 1/20 0.39
HSD17B10 Q99714 4/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 4/20 0.38
MAPK1 P28482 2/20 0.38
TSHR P16473 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
BAZ2B Q9UIF8 1/20 0.37
BAZ2A Q9UIF9 1/20 0.37
HTT P42858 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
HPGD P15428 3/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALOX15 P16050 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL8008715 0.84 TDP1 (0.49) CYP46A1HSD17B10ALDH1A1MAPTMAPK1
SCHEMBL2186358 0.83 GRM2 (0.40) EGFRCYP46A1ALDH1A1MTNR1AMTNR1B
SCHEMBL8005894 0.83 SLC7A5 (0.43) EGFRCYP46A1HSD17B10ALDH1A1MAPT
SCHEMBL7947388 0.81 P2RX3 (0.43) ATM
SCHEMBL7997686 0.79 KDM4E (0.46) CYP46A1HSD17B10ALDH1A1MAPTMAPK1
SCHEMBL3660558 0.79 TDP1 (0.44) CYP46A1HSD17B10ALDH1A1MAPTMAPK1
SCHEMBL7996748 0.79 CA12 (0.51) EGFRCYP46A1HSD17B10ALDH1A1MAPT
SCHEMBL8005875 0.79 TDP1 (0.44) EGFRCYP46A1HSD17B10ALDH1A1MAPT
SCHEMBL17707305 0.78 TDP1 (0.58) EGFRCYP46A1HSD17B10ALDH1A1MAPT
SCHEMBL7945903 0.78 NOTUM (0.43) CYP46A1HSD17B10ALDH1A1MAPTMAPK1

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-2010033168-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2010-03-25 WO disclosed