SCHEMBL18236019

SCHEMBL18236019

BC(=O)CCC(=O)OC(COC)COC(=O)OCCCCCC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
PRKCA P17252 5/20 0.40
PRKCE Q02156 2/20 0.40
PRKCQ Q04759 2/20 0.40
PRKCD Q05655 2/20 0.40
LPAR3 Q9UBY5 6/20 0.39
LPAR1 Q92633 4/20 0.39
LPAR2 Q9HBW0 3/20 0.39
LPAR6 P43657 1/20 0.39
LPAR4 Q99677 1/20 0.39
LPAR5 Q9H1C0 1/20 0.39
ENPP2 Q13822 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DAGLA Q9Y4D2 1/20 0.36

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
SCHEMBL17830120 0.89 ALDH1A1 (0.43) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL10158740 0.87 ALDH1A1 (0.48) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL10158744 0.86 ALDH1A1 (0.47) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL10158751 0.86 ALDH1A1 (0.57) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL12564600 0.86 ALDH1A1 (0.61) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL10158747 0.85 ALDH1A1 (0.46) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL10158672 0.81 ENPP2 (0.40) ALDH1A1PRKCALPAR3LPAR1LPAR2
SCHEMBL10158718 0.74 ALDH1A1 (0.48) ALDH1A1LMNAPRKCAPRKCEPRKCQ
SCHEMBL10158723 0.74 ALDH1A1 (0.38) ALDH1A1LMNALPAR3LPAR1LPAR2
SCHEMBL16020426 0.70 ALDH1A1 (0.47) ALDH1A1LMNAPRKCAPRKCEPRKCQ

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-20160331875-A1 STRETCH RELEASE DRUG DELIVERY MATERIALS TRUSTEES OF BOSTON UNIVERSITY (US) 2016-11-17 US disclosed