SCHEMBL29209802

SCHEMBL29209802

C1=CC(C2CCCCC2)CCC1C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
HSD11B1 P28845 2/20 0.35
HSD11B2 P80365 1/20 0.35
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL10292279 0.84 ALDH1A1 (0.32) ALDH1A1
SCHEMBL13645487 0.84 ALDH1A1 (0.32) ALDH1A1
SCHEMBL1200265 0.77 ALDH1A1 (0.35) ALDH1A1
SCHEMBL1133414 0.75 ALDH1A1 (0.38) ALDH1A1
SCHEMBL14759776 0.75 ALDH1A1 (0.38) ALDH1A1
SCHEMBL7783728 0.75 ALDH1A1 (0.38) ALDH1A1
SCHEMBL18107133 0.74
SCHEMBL7120115 0.74 ALDH1A1 (0.41) ALDH1A1HSD11B1HSD11B2POLBAPEX1
SCHEMBL6323393 0.74 ALDH1A1 (0.41) ALDH1A1HSD11B1HSD11B2POLBAPEX1
SCHEMBL1930004 0.73

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-118027987-A Liquid crystal compound and liquid crystal device 华为技术有限公司 2024-05-14 CN disclosed