SCHEMBL23403085

SCHEMBL23403085

CCCCc1c(O)nn(-c2ccccc2C)c1C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 3/20 0.37
MAPK14 Q16539 2/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
APLNR P35414 2/20 0.34
HSP90AA1 P07900 1/20 0.34
HSD11B1 P28845 1/20 0.33
SLC16A3 O15427 1/20 0.32
SLC16A1 P53985 1/20 0.32
THRB P10828 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL23401384 0.93 MAPK14 (0.37) POLBL3MBTL1MAPTMAPK14MAPK13
SCHEMBL23402774 0.88 MAPK14 (0.41) POLBL3MBTL1MAPTMAPK14MAPK13
SCHEMBL23402802 0.84 POLB (0.38) POLBL3MBTL1MAPTMAPK14MAPK13
SCHEMBL23402119 0.84 USP2 (0.41) MAPTALDH1A1KDM4ELMNAHPGD
SCHEMBL23401041 0.83 POLB (0.40) POLBL3MBTL1MAPTALDH1A1KDM4E
SCHEMBL23401494 0.82 POLB (0.40) POLBL3MBTL1MAPTALDH1A1KDM4E
SCHEMBL23400554 0.82 ALDH1A1 (0.38) L3MBTL1MAPTMAPK14MAPK13MAPK12
SCHEMBL23401686 0.81 POLB (0.39) POLBL3MBTL1MAPTALDH1A1KDM4E
SCHEMBL23401781 0.81 POLB (0.39) POLBL3MBTL1MAPTALDH1A1KDM4E
SCHEMBL23402584 0.81 POLB (0.39) POLBL3MBTL1MAPTMAPK14MAPK13

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