SCHEMBL5035224

SCHEMBL5035224

CCCCOC(=O)CC(C)COC(=O)CC(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.43
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.41
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DGKA P23743 1/20 0.39
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
RAD52 P43351 1/20 0.38
PRKCA P17252 1/20 0.37
RECQL P46063 1/20 0.37
FAAH O00519 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL5033127 0.89 PRKCA (0.39) NAAAALDH1A1MAPTDGKAPRKCA
SCHEMBL1866046 0.89 ALDH1A1 (0.52) NAAAALDH1A1MAPTATMNPSR1
SCHEMBL95383 0.89 ALDH1A1 (0.52) NAAAALDH1A1MAPTATMNPSR1
SCHEMBL27797391 0.86 NAAA (0.46) NAAAALDH1A1MAPTATMNPSR1
SCHEMBL28117429 0.85 ALDH1A1 (0.52) NAAAALDH1A1MAPTATMNPSR1
SCHEMBL1774027 0.83 NAAA (0.61) NAAAALDH1A1MAPTNPSR1MAPK1
SCHEMBL5033117 0.82 CYP19A1 (0.41) ALDH1A1MAPK1PRKCA
3-Methylbutanoic Acid SCHEMBL5035223 0.82 NAAA (0.46) NAAAALDH1A1MAPTATMNPSR1
SCHEMBL23948108 0.82 NAAA (0.64) NAAAMAPTNPSR1MAPK1L3MBTL1
SCHEMBL3504225 0.82 NAAA (0.64) NAAAMAPTNPSR1MAPK1L3MBTL1

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-8357508-B2 Agitating and rapid heating in solvent, separating, suspending, precipitating PHB INDUSTRIAL S.A. (BR) 2013-01-22 US disclosed
US-20080193987-A1 Process for Extracting and Recovering Polyhydroxyalkanoates (Phas) From Cellular Biomass PHB INDUSTRIAL S.A. (BR) 2008-08-14 US disclosed