SCHEMBL28767945

SCHEMBL28767945

CC1CCC2CC=CC=C2C1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.33
ESR2 Q92731 1/20 0.31

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
SCHEMBL5889192 0.82
SCHEMBL16415862 0.76 ESR2 (0.31) ESR2
SCHEMBL2360998 0.75
SCHEMBL26299773 0.72 ESR2 (0.34) ESR2
SCHEMBL14480341 0.72
SCHEMBL27789266 0.72
SCHEMBL4754795 0.72
SCHEMBL22584 0.71
SCHEMBL16393757 0.71
SCHEMBL8427103 0.69

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-114524710-A Photocatalysis method for generating carbon-carbon bond 兰州大学 2022-05-24 CN disclosed