SCHEMBL6231002

SCHEMBL6231002

CCC(C)C(CC(=O)O)C(C(=O)O)C(C)CC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MME P08473 2/20 0.35
ACE P12821 2/20 0.35
CPA1 P15085 2/20 0.35
ACE2 Q9BYF1 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ENPEP Q07075 5/20 0.31
CACNA2D1 P54289 2/20 0.31
CACNB3 P54284 1/20 0.31
CACNA1C Q13936 1/20 0.31
PGR P06401 1/20 0.31
ADRA1A P35348 1/20 0.31
HTR2B P41595 1/20 0.31
CACNA2D2 Q9NY47 1/20 0.31

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
SCHEMBL7546501 0.87 ALDH1A1 (0.41) ALDH1A1TDP1MMEACECPA1
SCHEMBL7546505 0.87 ALDH1A1 (0.41) ALDH1A1TDP1MMEACECPA1
SCHEMBL28090209 0.79 ALDH1A1 (0.45) ALDH1A1TDP1MMEACECPA1
SCHEMBL4981845 0.75 ENPEP (0.37) MMEACECPA1ACE2ENPEP
SCHEMBL3499612 0.75 ALDH1A1 (0.42) ALDH1A1TDP1MMEACECPA1
SCHEMBL13311446 0.75 ALDH1A1 (0.42) ALDH1A1TDP1MMEACECPA1
SCHEMBL8569856 0.73 TP53 (0.41) ALDH1A1TDP1MMEACECPA1
SCHEMBL20753231 0.73 ALDH1A1 (0.41) ALDH1A1TDP1MMEACECPA1
SCHEMBL30751935 0.73 ALDH1A1 (0.41) ALDH1A1TDP1MMEACECPA1
SCHEMBL2625119 0.73 ALDH1A1 (0.41) ALDH1A1TDP1MMEACECPA1

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
EP-1530603-A1 URETHANE ACRYLATE GEL COAT RESIN AND METHOD OF MAKING Valspar Sourcing, Inc. (US) 2005-05-18 EP claimed
WO-2004014978-A1 URETHANE ACRYLATE GEL COAT RESIN AND METHOD OF MAKING VALSPAR SOURCING, INC. (US) 2004-02-19 WO claimed