SCHEMBL23402247

SCHEMBL23402247

CCc1cc(O)n(-c2ccccc2C)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
MAPT P10636 4/20 0.39
MAPK1 P28482 1/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 1/20 0.39
SLC16A3 O15427 2/20 0.38
SLC16A1 P53985 2/20 0.38
KDM4E B2RXH2 2/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
APLNR P35414 1/20 0.36
THRB P10828 1/20 0.36
DHODH Q02127 1/20 0.36
OPRM1 P35372 1/20 0.36
MGLL Q99685 1/20 0.36

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
SCHEMBL23400335 0.88 ALDH1A1 (0.40) ALDH1A1MAPTMAPK1SLC16A3SLC16A1
SCHEMBL23401795 0.85 CNR2 (0.44) ALDH1A1MAPTMAPK1SLC16A3SLC16A1
SCHEMBL23400782 0.83 ALDH1A1 (0.41) ALDH1A1MAPTMAPK1SLC16A3SLC16A1
SCHEMBL4918738 0.80 ALDH1A1 (0.46) ALDH1A1MAPTMAPK1MAPK13MAPK12
SCHEMBL9966162 0.80 LMNA (0.45) ALDH1A1MAPK1TSHR
SCHEMBL23398671 0.77 ALDH1A1 (0.45) ALDH1A1MAPTMAPK13MAPK12MAPK11
SCHEMBL23611811 0.77 ALDH1A1 (0.37) ALDH1A1MAPTMAPK13MAPK12MAPK11
SCHEMBL23399441 0.77 KDM5A (0.41) ALDH1A1MAPTMAPK13MAPK12MAPK11
SCHEMBL23399292 0.75 ALDH1A1 (0.43) ALDH1A1MAPTMAPK13MAPK12MAPK11
SCHEMBL23399514 0.74 ALDH1A1 (0.56) ALDH1A1MAPTMAPK1KDM4EALOX15

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