SCHEMBL8329129

SCHEMBL8329129

CC(C)CC(C)OC(=O)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.41
SLC7A5 Q01650 1/20 0.41
CYP19A1 P11511 1/20 0.39
CPA1 P15085 2/20 0.38
CACNA2D1 P54289 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CACNB3 P54284 1/20 0.35
CACNA1C Q13936 1/20 0.35
PGR P06401 1/20 0.35
ADRA1A P35348 1/20 0.35
HTR2B P41595 1/20 0.35
CACNA2D2 Q9NY47 1/20 0.35
SLC1A3 P43003 1/20 0.35
SLC1A2 P43004 1/20 0.35
ANPEP P15144 3/20 0.34
LAP3 P28838 2/20 0.34
ERAP1 Q9NZ08 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34

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
SCHEMBL17266586 0.80 MAPT (0.39) MMP1MMP2MMP3MMP9MMP13
SCHEMBL609300 0.79 RNPEP (0.44) RNPEPSLC7A5CYP19A1CPA1CACNA2D1
SCHEMBL7783020 0.78 CYP19A1 (0.38) RNPEPSLC7A5CYP19A1CACNA2D1ALDH1A1
SCHEMBL2013862 0.76 TSHR (0.54) RNPEPSLC7A5CYP19A1ALDH1A1ANPEP
SCHEMBL3104451 0.76 TSHR (0.43) ALDH1A1
SCHEMBL28409309 0.76 CHRM1 (0.41) ALDH1A1ADRA1ASLC1A3SLC1A2LMNA
SCHEMBL8329126 0.76 TSHR (0.34) ALDH1A1MMP1MMP2MMP3MMP9
SCHEMBL609299 0.76 CYP19A1 (0.42) RNPEPSLC7A5CYP19A1CACNA2D1ALDH1A1
SCHEMBL18825736 0.74 ALOX15 (0.35) RNPEPSLC7A5CYP19A1CACNA2D1ALDH1A1
SCHEMBL766233 0.74 TSHR (0.56) RNPEPSLC7A5CYP19A1CACNA2D1ALDH1A1

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-5866712-A POLYMERIZATION AND CURING CATALYSTS ELF ATOCHEM NORTH AMERICA, INC. (US) 1999-02-02 US disclosed