SCHEMBL14828341

SCHEMBL14828341

O=C(O)CC(CC(=O)O)C1CC(C(=O)O)C(C(=O)O)c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.39
TSHR P16473 1/20 0.39
FFAR1 O14842 2/20 0.37
HSD11B1 P28845 2/20 0.35
GRM2 Q14416 5/20 0.35
GRM3 Q14832 5/20 0.35
ALDH1A1 P00352 2/20 0.34
GLA P06280 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GRM8 O00222 1/20 0.33
GRM5 P41594 1/20 0.33
GRM1 Q13255 1/20 0.33
GRM7 Q14831 1/20 0.33
GRM4 Q14833 1/20 0.33
CPA1 P15085 2/20 0.33
GABBR2 O75899 1/20 0.33
GABBR1 Q9UBS5 1/20 0.33
CPB1 P15086 1/20 0.33

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
SCHEMBL14320110 0.89 MMP12 (0.33) MEN1KMT2A
SCHEMBL64253 0.87 CYP1A2 (0.49) CYP1A2TSHRFFAR1HSD11B1GRM2
SCHEMBL29671495 0.87 CYP1A2 (0.49) CYP1A2TSHRFFAR1HSD11B1GRM2
SCHEMBL1278737 0.86 CYP1A2 (0.48) CYP1A2TSHRFFAR1HSD11B1GRM2
SCHEMBL14647783 0.85 CYP1A2 (0.35) CYP1A2TSHRFFAR1HSD11B1GRM2
SCHEMBL29508339 0.74 ALDH1A1 (0.44) CYP1A2FFAR1HSD11B1GRM2GRM3
SCHEMBL28373219 0.74 ALDH1A1 (0.44) CYP1A2FFAR1HSD11B1GRM2GRM3
SCHEMBL14826779 0.73 CYP1A2 (0.31) CYP1A2TSHRFFAR1
SCHEMBL16351592 0.72
SCHEMBL12311663 0.71 CYP1A2 (0.48) CYP1A2TSHRFFAR1HSD11B1ALDH1A1

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-9178120-B2 Curable resin composition, curable resin composition tablet, molded body, semiconductor package, semiconductor component and light emitting diode KANEKA CORPORATION (JP) 2015-11-03 US disclosed
US-20130082369-A1 CURABLE RESIN COMPOSITION, CURABLE RESIN COMPOSITION TABLET, MOLDED BODY, SEMICONDUCTOR PACKAGE, SEMICONDUCTOR COMPONENT AND LIGHT EMITTING DIODE KANEKA CORPORATION (JP) 2013-04-04 US disclosed