SCHEMBL8988940

SCHEMBL8988940

CCOC(=O)COCCCC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.49
ALDH1A1 P00352 4/20 0.47
L3MBTL1 Q9Y468 3/20 0.47
MAPK1 P28482 2/20 0.47
LTA4H P09960 6/20 0.47
LMNA P02545 1/20 0.47
ABCB1 P08183 1/20 0.45
TDP1 Q9NUW8 3/20 0.45
TSHR P16473 2/20 0.45
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
CYP3A4 P08684 1/20 0.45
POLB P06746 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CASP1 P29466 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYSLTR2 Q9NS75 1/20 0.44
CYSLTR1 Q9Y271 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL2722347 0.88 ALOX5 (0.53) ALOX5ALDH1A1L3MBTL1MAPK1LTA4H
SCHEMBL20057183 0.87 NAAA (0.46) ALOX5ALDH1A1L3MBTL1MAPK1LTA4H
SCHEMBL24768581 0.87 ALDH1A1 (0.58) ALOX5ALDH1A1L3MBTL1MAPK1LTA4H
SCHEMBL28016562 0.87 ALDH1A1 (0.58) ALOX5ALDH1A1L3MBTL1MAPK1LTA4H
SCHEMBL26813230 0.86 NAAA (0.45) ALOX5ALDH1A1L3MBTL1MAPK1LTA4H
SCHEMBL21068656 0.86 NAAA (0.45) ALOX5ALDH1A1L3MBTL1MAPK1LTA4H
SCHEMBL8989000 0.86 L3MBTL1 (0.47) ALDH1A1L3MBTL1MAPK1LTA4HABCB1
SCHEMBL5498058 0.86 ALDH1A1 (0.50) ALOX5ALDH1A1L3MBTL1MAPK1LTA4H
SCHEMBL21068903 0.84 NAAA (0.44) ALOX5ALDH1A1L3MBTL1MAPK1LTA4H
SCHEMBL21421875 0.84 LTA4H (0.43) ALOX5ALDH1A1L3MBTL1MAPK1LTA4H

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
US-5488140-A ANTICONVULSANTS CIBA-GEIGY CORPORATION (US) 1996-01-30 US disclosed
US-5294734-A 1-phosphato-4-amino-pent-2-enoic acids and derivatives CIBA-GEIGY CORP. (US) 1994-03-15 US disclosed