SCHEMBL23401696

SCHEMBL23401696

Cc1ccc(-c2c(CC(C)C)c(O)nn2-c2ccccc2C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
C5AR1 P21730 3/20 0.34
KDM4E B2RXH2 3/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
ADORA1 P30542 1/20 0.33
IDH1 O75874 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CNR1 P21554 1/20 0.31
SLC16A3 O15427 1/20 0.31
SLC16A1 P53985 1/20 0.31
FLT3 P36888 1/20 0.31
GSK3B P49841 1/20 0.31
HTT P42858 1/20 0.31
NPC1 O15118 1/20 0.31
LMNA P02545 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
SCHEMBL23401481 0.92 ALDH1A1 (0.42) ALDH1A1MAPTL3MBTL1C5AR1KDM4E
SCHEMBL23398922 0.87 ALDH1A1 (0.38) ALDH1A1MAPTL3MBTL1C5AR1KDM4E
SCHEMBL23401868 0.86 ALDH1A1 (0.40) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL23400353 0.85 ALDH1A1 (0.38) ALDH1A1MAPTL3MBTL1KDM4EKMT2A
SCHEMBL23402115 0.85 MAPT (0.41) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL23402646 0.84 MAPT (0.43) ALDH1A1MAPTKDM4EKMT2AMEN1
SCHEMBL23402374 0.83 MAPT (0.44) MAPTL3MBTL1KDM4EKMT2AMEN1
SCHEMBL23398730 0.82 ALDH1A1 (0.38) ALDH1A1MAPTL3MBTL1C5AR1KDM4E
SCHEMBL23400293 0.82 CYP2C9 (0.41) ALDH1A1MAPTKDM4EKMT2ATSHR
SCHEMBL23400661 0.81 ALDH1A1 (0.41) ALDH1A1MAPTL3MBTL1KDM4EKMT2A

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed