SCHEMBL6914535

SCHEMBL6914535

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.35
SRR Q9GZT4 1/20 0.35
NAALAD2 Q9Y3Q0 3/20 0.33
FOLH1 Q04609 2/20 0.33
FFAR3 O14843 1/20 0.33
CYP1A2 P05177 1/20 0.33
MME P08473 1/20 0.33
ACE P12821 1/20 0.33
CPA1 P15085 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
PTGS2 P35354 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 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
SCHEMBL518088 0.88 LDHA (0.40) LDHASRRNAALAD2FOLH1FFAR3
SCHEMBL15658171 0.81 TDP1 (0.43) NAALAD2FOLH1FFAR3ALDH1A1TDP1
SCHEMBL15992208 0.80 MMP1 (0.41) NAALAD2FOLH1ALDH1A1
SCHEMBL2340644 0.79 HSD17B10 (0.33) NAALAD2FOLH1MMEACECPA1
SCHEMBL9292454 0.78 LDHA (0.40) LDHASRRFFAR3CYP1A2ALDH1A1
SCHEMBL7948515 0.77 ALDH1A1 (0.39) ALDH1A1TDP1CYP2D6CYP2C19
SCHEMBL28121726 0.76 LDHA (0.38) LDHASRRFFAR3CYP1A2ALDH1A1
SCHEMBL9126999 0.76 SLC22A6 (0.33) NAALAD2FOLH1FFAR3CYP1A2MME
SCHEMBL9292168 0.74 HAO1 (0.38) NAALAD2FOLH1MMEACECPA1
SCHEMBL28240252 0.74 HAO1 (0.42) ALDH1A1MAPT

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-20040242739-A1 Use of fluoroalkane sulfonic acids for stabilising organic plastics containing halogen COGNIS DEUTSCHLAND GMBH & CO. KG (DE) 2004-12-02 US disclosed