SCHEMBL3515517

SCHEMBL3515517

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

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
MME P08473 2/20 0.31
ACE P12821 2/20 0.31
CPA1 P15085 2/20 0.31
ACE2 Q9BYF1 2/20 0.31
FOLH1 Q04609 2/20 0.31
NAALAD2 Q9Y3Q0 2/20 0.31
GABRR1 P24046 2/20 0.31
CYP1A2 P05177 1/20 0.31
FFAR3 O14843 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL3515511 1.00 ALDH1A1 (0.32) ALDH1A1MMEACECPA1ACE2
SCHEMBL4460559 0.92 FFAR3 (0.35) ACE2FOLH1NAALAD2GABRR1CYP1A2
SCHEMBL2820638 0.92 FFAR3 (0.35) ACE2FOLH1NAALAD2GABRR1CYP1A2
SCHEMBL2820641 0.92 FFAR3 (0.35) ACE2FOLH1NAALAD2GABRR1CYP1A2
SCHEMBL3516726 0.81 CHRM1 (0.41) ACE2GABRR1CYP1A2TSHR
SCHEMBL125331 0.81 TP53 (0.41) FFAR3
SCHEMBL125330 0.81 TP53 (0.41) FFAR3
SCHEMBL126750 0.81 TP53 (0.41) FFAR3
Ammonia Solution, Strong SCHEMBL6313571 0.78 FOLH1 (0.30) FOLH1NAALAD2GABRR1CYP1A2
SCHEMBL3516986 0.78 RNPEP (0.39) ALDH1A1CPA1

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