SCHEMBL23401795

SCHEMBL23401795

CCCCc1cc(O)n(-c2ccccc2C)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.44
CNR1 P21554 1/20 0.44
TLR7 Q9NYK1 2/20 0.41
ALOX5 P09917 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HSP90AA1 P07900 1/20 0.38
APLNR P35414 3/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 2/20 0.36
SLC16A3 O15427 1/20 0.36
SLC16A1 P53985 1/20 0.36
POLB P06746 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
NFKB1 P19838 1/20 0.35
RAB9A P51151 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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 0.91 ALDH1A1 (0.40) CNR2CNR1ALDH1A1HSP90AA1APLNR
SCHEMBL23402247 0.85 ALDH1A1 (0.42) ALDH1A1APLNRMAPTMAPK1SLC16A3
SCHEMBL27836791 0.83 ALDH1A1 (0.51) CNR2CNR1TLR7ALOX5ALDH1A1
SCHEMBL23401774 0.82 CNR1 (0.62) CNR2CNR1TLR7ALOX5ALDH1A1
SCHEMBL23401383 0.80 CNR1 (0.44) CNR2CNR1TLR7ALOX5ALDH1A1
SCHEMBL23401415 0.79 CNR1 (0.49) CNR2CNR1TLR7ALOX5ALDH1A1
SCHEMBL23400782 0.78 ALDH1A1 (0.41) TLR7ALDH1A1HSP90AA1MAPTMAPK1
SCHEMBL23402432 0.78 ALDH1A1 (0.40) ALDH1A1HSP90AA1APLNRMAPTPOLB
SCHEMBL23401576 0.77 CNR1 (0.47) CNR2CNR1TLR7ALOX5ALDH1A1
SCHEMBL23402728 0.75 POLB (0.38) ALDH1A1HSP90AA1MAPTPOLBL3MBTL1

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