SCHEMBL23401288

SCHEMBL23401288

CCCCc1c(O)c(CC)nn1-c1cccc(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
LMNA P02545 4/20 0.39
MAPT P10636 4/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
CTSK P43235 1/20 0.37
TLR8 Q9NR97 1/20 0.37
RPA1 P27694 1/20 0.36
DHFR P00374 1/20 0.36
APLNR P35414 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 2/20 0.35
HSD11B1 P28845 1/20 0.35
TP53 P04637 2/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL23401957 0.94 ALDH1A1 (0.40) ALDH1A1LMNAMAPTCTSKTLR8
SCHEMBL23402048 0.92 ALDH1A1 (0.40) ALDH1A1LMNAMAPTCTSKTLR8
SCHEMBL23399563 0.92 ALDH1A1 (0.41) ALDH1A1LMNAMAPTPDE4APDE4B
SCHEMBL23400952 0.90 ALDH1A1 (0.40) ALDH1A1LMNAMAPTPDE4APDE4B
SCHEMBL23401937 0.90 ALDH1A1 (0.40) ALDH1A1LMNAMAPTCTSKTLR8
SCHEMBL23400091 0.88 LMNA (0.37) ALDH1A1LMNAMAPTCTSKTLR8
SCHEMBL23402183 0.88 ALDH1A1 (0.44) ALDH1A1LMNAMAPTPDE4APDE4B
SCHEMBL23399856 0.87 ALDH1A1 (0.44) ALDH1A1LMNAMAPTCTSKRPA1
SCHEMBL23402779 0.85 ALDH1A1 (0.42) ALDH1A1LMNAMAPTCTSKRPA1
SCHEMBL23402088 0.85 ALDH1A1 (0.46) 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