SCHEMBL9550388

SCHEMBL9550388

CCCCc1cc2cccc(/C(=C\OC)C(=O)OC)c2o1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.39
STING1 Q86WV6 2/20 0.37
MAPT P10636 1/20 0.37
CNR2 P34972 6/20 0.36
ADORA2A P29274 1/20 0.34
ADORA2B P29275 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
SCHEMBL6139382 0.82 STING1 (0.48) TLR8STING1MAPTCNR2
SCHEMBL9550450 0.79 MAPT (0.36) MAPTCNR2ADORA2AADORA2B
SCHEMBL3247995 0.78 TLR8 (0.48) TLR8STING1MAPT
SCHEMBL9550411 0.78 MAPT (0.38) MAPTCNR2ADORA2AADORA2B
SCHEMBL9550392 0.77 ERAP1 (0.35) ADORA2AADORA2B
SCHEMBL9550466 0.76 MAPT (0.34) MAPTADORA2AADORA2B
SCHEMBL9550484 0.76 MAOA (0.47) MAPT
SCHEMBL9550507 0.74 ERAP1 (0.47)
SCHEMBL16290214 0.73 MAPT (0.49) TLR8MAPTADORA2AADORA2B
SCHEMBL9550421 0.73 ERAP1 (0.41) ADORA2A

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
US-5182295-A Miticides, fungicides ROUSSEL UCLAF (FR) 1993-01-26 US claimed