SCHEMBL23401253

SCHEMBL23401253

CCCc1c(CC)c(O)nn1-c1ccccc1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 2/20 0.34
HSD11B1 P28845 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TSHR P16473 2/20 0.34
HTT P42858 2/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
USP2 O75604 1/20 0.34
APLNR P35414 1/20 0.34
THRB P10828 1/20 0.34
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 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
SCHEMBL23400121 0.93 MAPT (0.37) MAPTMAPK1ALDH1A1KDM4EHSD11B1
SCHEMBL23399672 0.92 POLB (0.39) MAPTMAPK1ALDH1A1KDM4EHSD11B1
SCHEMBL23401781 0.90 POLB (0.39) MAPTMAPK1ALDH1A1KDM4EHSD11B1
SCHEMBL23402285 0.90 ALDH1A1 (0.38) MAPTMAPK1ALDH1A1KDM4EHSD11B1
SCHEMBL23400896 0.89 ALDH1A1 (0.36) MAPTMAPK1ALDH1A1KDM4EHSD11B1
SCHEMBL23402245 0.88 ALDH1A1 (0.38) MAPTMAPK1ALDH1A1KDM4EHSD11B1
SCHEMBL23399960 0.87 ALDH1A1 (0.37) MAPTMAPK1ALDH1A1KDM4EHSD11B1
SCHEMBL23403680 0.86 POLB (0.39) MAPTMAPK1ALDH1A1KDM4EHSD11B1
SCHEMBL23401494 0.86 POLB (0.40) MAPTMAPK1ALDH1A1KDM4EHSD11B1
SCHEMBL23401686 0.84 POLB (0.39) MAPTMAPK1ALDH1A1KDM4EHSD11B1

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