SCHEMBL28889809

SCHEMBL28889809

CCCC(OC)(OC)OC(N)=O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
HSD17B10 Q99714 1/20 0.44
ALOX15 P16050 1/20 0.36
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33
NFKB1 P19838 1/20 0.33
ADRA1A P35348 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FDPS P14324 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
SCHEMBL30552233 0.89 LMNA (0.48) LMNAHSD17B10ALOX15TSHRCYP3A4
Formaldehyde SCHEMBL4464397 0.84 LMNA (0.45) LMNAHSD17B10ALOX15TSHRCYP3A4
SCHEMBL27418546 0.80 LMNA (0.32) LMNAHSD17B10
SCHEMBL1870951 0.80 GAA (0.41) LMNAHSD17B10
SCHEMBL195257 0.78 LMNA (0.31) LMNAHSD17B10
SCHEMBL10528878 0.77 LMNA (0.31) LMNAHSD17B10
SCHEMBL9493422 0.77 LMNA (0.47) LMNAHSD17B10ALOX15TSHRCYP3A4
SCHEMBL27995203 0.74
SCHEMBL224525 0.73 LMNA (0.52) LMNAHSD17B10ALOX15TSHRCYP3A4
SCHEMBL5547248 0.73 LMNA (0.47) LMNAHSD17B10ALOX15TSHRCYP3A4

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-111825611-B 4(1H) -quinovone derivatives and uses thereof 刘扶东 2022-09-09 CN disclosed