SCHEMBL5050866

SCHEMBL5050866

C=C(C)C(=O)NCCCCC(C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.42
BLM P54132 1/20 0.42
TGFBR1 P36897 1/20 0.40
ACE2 Q9BYF1 1/20 0.40
GABRR1 P24046 2/20 0.38
CYP1A2 P05177 2/20 0.38
FOLH1 Q04609 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
TBXAS1 P24557 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ADRA1A P35348 1/20 0.34
DPP7 Q9UHL4 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
SCHEMBL5050835 0.87 GABRR1 (0.47) LTA4HBLMTGFBR1ACE2GABRR1
SCHEMBL18914351 0.86 LTA4H (0.42) LTA4HBLMTGFBR1ACE2GABRR1
SCHEMBL2063459 0.84 KDM4E (0.42) TGFBR1FOLH1KDM4EMAPK1HIF1A
SCHEMBL19472460 0.83 GPR84 (0.47) TGFBR1FOLH1KDM4EMAPK1HIF1A
SCHEMBL10063628 0.83 GSR (0.48) BLMCYP1A2CYP2C19DPP7
SCHEMBL686695 0.83 GSR (0.48) BLMCYP1A2CYP2C19DPP7
SCHEMBL6579587 0.83 GSR (0.48) BLMCYP1A2CYP2C19DPP7
SCHEMBL20503728 0.82 KDM4E (0.43) KDM4EMAPK1HIF1ASMN1; SMN2ADRA1A
SCHEMBL20503740 0.82 KDM4E (0.43) KDM4EMAPK1HIF1ASMN1; SMN2ADRA1A
SCHEMBL8608292 0.82 KDM4E (0.43) KDM4EMAPK1HIF1ASMN1; SMN2ADRA1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101001912-B Nanosubstance-containing composition, method for producing same, and composite using same MITSUBISHI RAYON CO 2010-11-17 CN disclosed
US-20080281014-A1 Nanosubstance-Containing Composition, Process for Producing the Same, and Composite Made With the Same MITSUBISHI RAYON CO., LTD. (JP) 2008-11-13 US disclosed
CN-101001912-A Nanosubstance-containing composition, method for producing same, and composite using same MITSUBISHI RAYON CO (JP) 2007-07-18 CN disclosed