SCHEMBL27757804

SCHEMBL27757804

CCCCC1=Cc2c(-c3ccc(CC)cc3)cccc2C1[Zr]

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.33
EDNRA P25101 1/20 0.33
TLR8 Q9NR97 1/20 0.31
AGTR1 P30556 1/20 0.30
AGTR2 P50052 1/20 0.30
HSD11B1 P28845 1/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30
PTAFR P25105 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
SCHEMBL27757688 0.95 SLC6A2 (0.34) EDNRBEDNRATLR8HSD11B1
SCHEMBL27757807 0.94 HSD11B1 (0.36) HSD11B1
SCHEMBL28779214 0.92 HSD11B1 (0.33) TLR8HSD11B1BCHEACHE
SCHEMBL27736952 0.92 EDNRB (0.34) EDNRBEDNRAPTAFR
SCHEMBL27757704 0.90 HSD17B10 (0.38) HSD11B1ACHE
SCHEMBL27736953 0.90 HSD17B10 (0.38) HSD11B1ACHE
SCHEMBL27757731 0.90 HSD11B1 (0.35) HSD11B1
SCHEMBL28779248 0.90 CRHR1 (0.32) BCHEACHE
SCHEMBL27757741 0.89 HSD17B10 (0.39) HSD11B1ACHE
SCHEMBL27446696 0.88 BCHE (0.35) HSD11B1BCHEACHE

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
CN-101356199-A Method for producing ultra-high molecular weight polymers by means of special bridged metallocene catalysts TICONA GMBH (DE) 2009-01-28 CN disclosed