SCHEMBL30823593

SCHEMBL30823593

CC1CC(C)CC(C)(C(=O)O)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.48
APLNR P35414 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 3/20 0.33
LMNA P02545 3/20 0.33
TP53 P04637 1/20 0.33
NFKB1 P19838 1/20 0.33
CYP2C19 P33261 1/20 0.33
THPO P40225 1/20 0.33
STAT6 P42226 1/20 0.33
HIF1A Q16665 1/20 0.33
NPC1 O15118 1/20 0.33
GMNN O75496 1/20 0.33
MTOR P42345 1/20 0.33
RAB9A P51151 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NR1I2 O75469 1/20 0.32

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
SCHEMBL3153384 0.90
SCHEMBL22600644 0.90
SCHEMBL9394662 0.80 FFAR3 (0.48) FFAR3APLNRALDH1A1MAPK1LMNA
SCHEMBL9394668 0.80 FFAR3 (0.48) FFAR3APLNRALDH1A1MAPK1LMNA
SCHEMBL24322531 0.78 ALDH1A1 (0.40) APLNRALDH1A1NPC1
SCHEMBL4871730 0.77 APLNR (0.33) FFAR3APLNRALDH1A1CYP2C19GRM6
SCHEMBL6845294 0.76 FFAR3 (0.50) FFAR3APLNRALDH1A1MAPK1LMNA
SCHEMBL479488 0.76 ALDH1A1 (0.33) FFAR3APLNRALDH1A1
SCHEMBL13408381 0.75 FFAR3 (0.48) FFAR3APLNRALDH1A1MAPK1LMNA
SCHEMBL13901713 0.75 FFAR3 (0.48) FFAR3APLNRALDH1A1MAPK1LMNA

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-117677603-A Cyclohexane lipids for nucleic acid transfection and uses thereof 捷克有机化学和生物化学研究院 2024-03-08 CN disclosed