SCHEMBL3516995

SCHEMBL3516995

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.39
SLC7A5 Q01650 1/20 0.39
CACNA2D1 P54289 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CACNB3 P54284 1/20 0.34
CACNA1C Q13936 1/20 0.34
PGR P06401 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
CACNA2D2 Q9NY47 1/20 0.34
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
ANPEP P15144 4/20 0.33
LAP3 P28838 3/20 0.33
ERAP1 Q9NZ08 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
CPA1 P15085 1/20 0.32

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
SCHEMBL3516986 1.00 RNPEP (0.39) RNPEPSLC7A5CACNA2D1ALDH1A1CACNB3
SCHEMBL126750 0.79 TP53 (0.41) SLC7A5
SCHEMBL125331 0.79 TP53 (0.41) SLC7A5
SCHEMBL125330 0.79 TP53 (0.41) SLC7A5
SCHEMBL3515517 0.78 ALDH1A1 (0.32) ALDH1A1CPA1
SCHEMBL3515511 0.78 ALDH1A1 (0.32) ALDH1A1CPA1
SCHEMBL304298 0.76 TP53 (0.39) SLC7A5
SCHEMBL304296 0.76 TP53 (0.39) SLC7A5
SCHEMBL3515144 0.76
SCHEMBL3516726 0.74 CHRM1 (0.41) ADRA1ASLC1A3SLC1A2

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-8236917-B2 Compound having silsesquioxane skeleton and its polymer JNC CORPORATION (JP) 2012-08-07 US disclosed
US-20100240855-A1 Compound having silsesquioxane skeleton and its polymer JNC CORPORATION (JP) 2010-09-23 US disclosed