SCHEMBL10168227

SCHEMBL10168227

C=C(C)C(=O)OCC(CC)OC(=O)CCCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 4/20 0.44
PRKCA P17252 4/20 0.41
PRKCE Q02156 1/20 0.41
PRKCQ Q04759 1/20 0.41
PRKCD Q05655 1/20 0.41
TLR2 O60603 2/20 0.38
LPAR3 Q9UBY5 3/20 0.37
LPAR1 Q92633 2/20 0.37
ENPP2 Q13822 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL14183093 0.93 ALDH1A1 (0.47) ALDH1A1LMNATSHRPRKCAPRKCE
SCHEMBL10168225 0.91 TSHR (0.46) ALDH1A1LMNATSHRPRKCAPRKCE
SCHEMBL195070 0.86 ALDH1A1 (0.48) ALDH1A1LMNATSHRPRKCAPRKCE
SCHEMBL890783 0.83 TSHR (0.50) ALDH1A1LMNATSHRPRKCAPRKCE
SCHEMBL31122350 0.82 TSHR (0.54) ALDH1A1LMNATSHRPRKCAPRKCE
SCHEMBL31122351 0.82 TSHR (0.54) ALDH1A1LMNATSHRPRKCAPRKCE
SCHEMBL15512198 0.82 ALDH1A1 (0.65) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL10168326 0.80 TSHR (0.44) ALDH1A1LMNATSHRPRKCAPRKCE
SCHEMBL158386 0.80 TSHR (0.57) ALDH1A1LMNATSHRPRKCAPRKCE
SCHEMBL19039726 0.79 ALDH1A1 (0.71) ALDH1A1LMNATSHRPRKCAPRKCE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8980969-B2 Addition-fragmentation agents 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-03-17 US disclosed
US-20140206788-A1 ADDITION-FRAGMENTATION AGENTS 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-07-24 US disclosed
US-8529803-B2 Curable coloring composition, color filter and method for producing same, and quinophthalone dye FUJIFILM CORPORATION (JP) 2013-09-10 US disclosed
US-20120112142-A1 CURABLE COLORING COMPOSITION, COLOR FILTER AND METHOD FOR PRODUCING SAME, AND QUINOPHTHALONE DYE FUJIFILM CORPORATION (JP) 2012-05-10 US disclosed