SCHEMBL23398996

SCHEMBL23398996

CCCCc1c(CC)nn(-c2cccc(C)c2)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
LMNA P02545 4/20 0.41
MAPT P10636 3/20 0.41
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
CTSK P43235 1/20 0.39
TLR8 Q9NR97 1/20 0.38
MAPK14 Q16539 2/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
RPA1 P27694 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
DHFR P00374 1/20 0.38
APLNR P35414 1/20 0.38
MAPK1 P28482 2/20 0.36
HSD11B1 P28845 1/20 0.36
MAPK9 P45984 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
SCHEMBL23401898 0.93 ALDH1A1 (0.42) ALDH1A1LMNAMAPTPDE4APDE4B
SCHEMBL23402015 0.93 ALDH1A1 (0.42) ALDH1A1LMNAMAPTCTSKTLR8
SCHEMBL23400443 0.92 ALDH1A1 (0.40) ALDH1A1LMNAMAPTPDE4APDE4B
SCHEMBL23402218 0.92 ALDH1A1 (0.41) ALDH1A1LMNAMAPTCTSKTLR8
SCHEMBL23402926 0.91 ALDH1A1 (0.40) ALDH1A1LMNAMAPTCTSKTLR8
SCHEMBL23402852 0.90 ALDH1A1 (0.44) ALDH1A1LMNAMAPTPDE4APDE4B
SCHEMBL23402729 0.88 ALDH1A1 (0.46) ALDH1A1LMNAMAPTCTSKRPA1
SCHEMBL23401722 0.87 ALDH1A1 (0.38) ALDH1A1LMNAMAPTCTSKTLR8
SCHEMBL23399017 0.86 ALDH1A1 (0.43) ALDH1A1LMNAMAPTCTSKMAPK14
SCHEMBL23399697 0.86 ALDH1A1 (0.47) ALDH1A1LMNAMAPTPDE4APDE4B

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