SCHEMBL23399739

SCHEMBL23399739

CCc1c(CC(C)C)c(O)nn1-c1ccccc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.34
MAPT P10636 3/20 0.33
PLK1 P53350 1/20 0.33
THRB P10828 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.33
TSHR P16473 1/20 0.33
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32
MAPK14 Q16539 1/20 0.32
MEN1 O00255 1/20 0.32
PKM P14618 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FABP4 P15090 1/20 0.32
PDE4A P27815 1/20 0.32

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
SCHEMBL23399422 0.92 ALDH1A1 (0.40) ALDH1A1L3MBTL1KDM4EMAPTPLK1
SCHEMBL23399960 0.90 ALDH1A1 (0.37) ALDH1A1L3MBTL1KDM4EMAPTPLK1
SCHEMBL23402225 0.89 ALDH1A1 (0.39) ALDH1A1L3MBTL1KDM4EMAPTPLK1
SCHEMBL23398373 0.87 L3MBTL1 (0.36) ALDH1A1L3MBTL1KDM4EMAPTPLK1
SCHEMBL23402285 0.87 ALDH1A1 (0.38) ALDH1A1L3MBTL1KDM4EMAPTTHRB
SCHEMBL23400661 0.85 ALDH1A1 (0.41) ALDH1A1L3MBTL1KDM4EMAPTPLK1
SCHEMBL23399742 0.84 ALDH1A1 (0.37) ALDH1A1L3MBTL1KDM4EMAPTPLK1
SCHEMBL23400896 0.83 ALDH1A1 (0.36) ALDH1A1L3MBTL1KDM4EMAPTTHRB
SCHEMBL23401793 0.83 L3MBTL1 (0.37) ALDH1A1L3MBTL1KDM4EMAPTPLK1
SCHEMBL23401686 0.82 POLB (0.39) ALDH1A1L3MBTL1KDM4EMAPTTHRB

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