SCHEMBL23402245

SCHEMBL23402245

CCCc1c(C)c(O)nn1-c1ccccc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.38
MAPT P10636 5/20 0.38
MAPK1 P28482 1/20 0.38
KDM4E B2RXH2 3/20 0.36
HSD11B1 P28845 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
USP2 O75604 1/20 0.35
APLNR P35414 1/20 0.35
THRB P10828 1/20 0.35
HIF1A Q16665 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
ELANE P08246 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL23400811 0.91 POLB (0.38) ALDH1A1MAPTMAPK1KDM4EHSD11B1
SCHEMBL23400121 0.90 MAPT (0.37) ALDH1A1MAPTMAPK1KDM4EHSD11B1
SCHEMBL23401253 0.88 MAPT (0.36) ALDH1A1MAPTMAPK1KDM4EHSD11B1
SCHEMBL23403663 0.88 ALDH1A1 (0.39) ALDH1A1MAPTMAPK1KDM4EHSD11B1
SCHEMBL23401781 0.87 POLB (0.39) ALDH1A1MAPTMAPK1KDM4EHSD11B1
SCHEMBL23399960 0.84 ALDH1A1 (0.37) ALDH1A1MAPTMAPK1KDM4EHSD11B1
SCHEMBL23401050 0.83 MAPK14 (0.37) ALDH1A1MAPTMAPK1HSD11B1TSHR
SCHEMBL23403680 0.83 POLB (0.39) ALDH1A1MAPTMAPK1KDM4EHSD11B1
SCHEMBL23400896 0.82 ALDH1A1 (0.36) ALDH1A1MAPTMAPK1KDM4EHSD11B1
SCHEMBL23398770 0.82 HTT (0.41) ALDH1A1MAPTMAPK1HSD11B1TSHR

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