SCHEMBL10823232

SCHEMBL10823232

O=C1OOOC(=O)C12CCCCC2

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 2/20 0.30
MAPK1 P28482 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL22767562 0.86 ALDH1A1 (0.32) HSD17B10ALDH1A1MAPK1
SCHEMBL22767335 0.80
SCHEMBL402404 0.78 HSD17B10 (0.33) HSD17B10ALDH1A1MAPK1L3MBTL1ESR1
SCHEMBL8624047 0.78 HSD17B10 (0.33) HSD17B10ALDH1A1MAPK1L3MBTL1ESR1
SCHEMBL6377360 0.75 MAPK1 (0.32) HSD17B10ALDH1A1MAPK1
SCHEMBL11466183 0.74 ALDH1A1 (0.37) HSD17B10ALDH1A1MAPK1L3MBTL1
SCHEMBL22767333 0.74
SCHEMBL3256467 0.72 ALDH1A1 (0.42) ALDH1A1MAPK1L3MBTL1ESR1ESR2
SCHEMBL1080541 0.72 CA1 (0.39) HSD17B10ALDH1A1MAPK1
SCHEMBL8590344 0.72 CA1 (0.39) HSD17B10ALDH1A1MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-61003319-A None JP disclosed
JP-S613319-A MAGNETIC RECORDING MEDIUM RICOH CO LTD 1986-01-09 JP disclosed