SCHEMBL11186151

SCHEMBL11186151

[CH2]c1ccccc1CCC=C

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.34
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
ACHE P22303 1/20 0.31
MAPT P10636 1/20 0.30
IDH1 O75874 1/20 0.30

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
SCHEMBL5869932 0.80 TAAR1 (0.35)
SCHEMBL8078517 0.78 GPR52 (0.33)
SCHEMBL28869165 0.78 GPR52 (0.34) ALDH1A1
SCHEMBL170726 0.76 GABRA1 (0.48) ALDH1A1GABRA1GABRB2MAPT
SCHEMBL7098161 0.76 TLR8 (0.40) TLR8USP2ALDH1A1HPGDTDP1
SCHEMBL5543573 0.76 TAAR1 (0.54) ACHE
SCHEMBL5925354 0.76 TAAR1 (0.54) TLR8TDP1
SCHEMBL8077538 0.76 TSHR (0.40) TLR8ALDH1A1ACHE
SCHEMBL3644364 0.76 PNMT (0.41) TLR8USP2ALDH1A1HPGDTDP1
SCHEMBL7563209 0.76 TAAR1 (0.56) ALDH1A1HPGD

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-0073566-A1 Methods and compositions for combating soil pests IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1983-03-09 EP claimed