SCHEMBL3518740

SCHEMBL3518740

CC(C)CC(C)/C(C(=O)O)=C(\C(=O)O)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.34
SLC7A5 Q01650 1/20 0.34
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
ALDH1A1 P00352 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 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
SCHEMBL3518747 1.00 RNPEP (0.34) RNPEPSLC7A5CACNA2D1CACNB3CACNA1C
SCHEMBL3516780 0.82
SCHEMBL3516784 0.82
SCHEMBL3514183 0.76
SCHEMBL3514188 0.76
SCHEMBL3516986 0.74 RNPEP (0.39) RNPEPSLC7A5CACNA2D1CACNB3CACNA1C
SCHEMBL3516995 0.74 RNPEP (0.39) RNPEPSLC7A5CACNA2D1CACNB3CACNA1C
SCHEMBL3515163 0.70 KDM4E (0.36) ALDH1A1
SCHEMBL3515157 0.70 KDM4E (0.36) ALDH1A1
SCHEMBL9709114 0.69

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