SCHEMBL9587296

SCHEMBL9587296

CCNCCc1ccc(OC(=O)CC(C)C)c(OC(=O)CC(C)C)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.62
ADRB2 P07550 3/20 0.54
DRD1 P21728 2/20 0.54
ADRA2A P08913 1/20 0.54
DRD2 P14416 1/20 0.54
ADRA2C P18825 1/20 0.54
ADRA1A P35348 1/20 0.54
DRD3 P35462 1/20 0.54
TRPV1 Q8NER1 1/20 0.44
ADRB1 P08588 2/20 0.42
ADRB3 P13945 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL9404819 0.91 ALOX15 (0.60) ALOX15ADRB2DRD1ADRA2ADRD2
SCHEMBL9404814 0.85 ALOX15 (0.63) ALOX15ADRB2DRD1ADRA2ADRD2
SCHEMBL9405000 0.85 ALOX15 (0.62) ALOX15ADRB2DRD1ADRA2ADRD2
SCHEMBL9404950 0.85 ADRB2 (0.75) ALOX15ADRB2DRD1ADRA2ADRD2
SCHEMBL9404934 0.83 ALOX15 (0.59) ALOX15ADRB2DRD1ADRA2ADRD2
SCHEMBL9404837 0.82 ALOX15 (0.64) ALOX15ADRB2DRD1ADRA2ADRD2
SCHEMBL9404924 0.81 ADRB2 (0.58) ALOX15ADRB2DRD1ADRA2ADRD2
SCHEMBL2816724 0.81 ALOX15 (0.61) ALOX15SMN1; SMN2ALDH1A1
SCHEMBL9404947 0.81 ALOX15 (0.63) ALOX15ADRB2DRD1ADRA2ADRD2
SCHEMBL9404786 0.80 ALOX15 (0.68) ALOX15ADRB2DRD1ADRA2ADRD2

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-5246949-A And lactic acid esters, treatment of hypotension and cardiac circulatory insufficiency SANSHO CO., LTD. (JP) 1993-09-21 US disclosed