SCHEMBL10692599

SCHEMBL10692599

CCCCC(=O)OC1CC(OC(=O)CCCC)CC(OC(=O)CCCC)C1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 2/20 0.61
ALDH1A1 P00352 2/20 0.44
TP53 P04637 1/20 0.44
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DGKA P23743 1/20 0.42
PRKCA P17252 5/20 0.41
TSHR P16473 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL10692605 1.00 NAAA (0.61) NAAAALDH1A1TP53CES2CES1
SCHEMBL10689180 0.94 NAAA (0.70) NAAAALDH1A1DGKAPRKCATSHR
SCHEMBL10689185 0.94 NAAA (0.70) NAAAALDH1A1DGKAPRKCATSHR
SCHEMBL10689492 0.92 NAAA (0.73) NAAAALDH1A1DGKAPRKCATSHR
SCHEMBL10686816 0.92 NAAA (0.73) NAAAALDH1A1DGKAPRKCATSHR
SCHEMBL10686812 0.92 NAAA (0.73) NAAAALDH1A1DGKAPRKCATSHR
SCHEMBL10691769 0.92 NAAA (0.73) NAAAALDH1A1DGKAPRKCATSHR
SCHEMBL10690721 0.92 NAAA (0.73) NAAAALDH1A1DGKAPRKCATSHR
SCHEMBL10688680 0.92 NAAA (0.73) NAAAALDH1A1DGKAPRKCATSHR
SCHEMBL10690130 0.92 NAAA (0.73) NAAAALDH1A1DGKAPRKCATSHR

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
US-4734522-A LIQUID CRYSTALS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1988-03-29 US disclosed