SCHEMBL23399672

SCHEMBL23399672

CCCCc1c(CC)c(O)nn1-c1ccccc1C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 3/20 0.38
MAPK1 P28482 1/20 0.35
APLNR P35414 2/20 0.35
ALDH1A1 P00352 4/20 0.35
HSP90AA1 P07900 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HSD11B1 P28845 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL23401494 0.94 POLB (0.40) POLBL3MBTL1MAPTMAPK1APLNR
SCHEMBL23403680 0.92 POLB (0.39) POLBL3MBTL1MAPTMAPK1APLNR
SCHEMBL23401253 0.92 MAPT (0.36) POLBL3MBTL1MAPTMAPK1APLNR
SCHEMBL23401686 0.90 POLB (0.39) POLBL3MBTL1MAPTMAPK1APLNR
SCHEMBL23401781 0.90 POLB (0.39) POLBL3MBTL1MAPTMAPK1APLNR
SCHEMBL23400811 0.89 POLB (0.38) POLBL3MBTL1MAPTMAPK1APLNR
SCHEMBL23398373 0.87 L3MBTL1 (0.36) POLBL3MBTL1MAPTMAPK1APLNR
SCHEMBL23402285 0.87 ALDH1A1 (0.38) L3MBTL1MAPTMAPK1ALDH1A1KDM4E
SCHEMBL23400121 0.85 MAPT (0.37) POLBL3MBTL1MAPTMAPK1APLNR
SCHEMBL23401041 0.85 POLB (0.40) POLBL3MBTL1MAPTMAPK1APLNR

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