SCHEMBL459519

SCHEMBL459519

CC(C)CCOC(=O)CC1CCCC2CCCCC21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
SIGMAR1 Q99720 3/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HTT P42858 1/20 0.32
ALDH1A1 P00352 1/20 0.32
EP300 Q09472 1/20 0.31
HIF1A Q16665 1/20 0.31
CREBBP Q92793 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GAA P10253 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
APOBEC3A P31941 1/20 0.30
APOBEC3G Q9HC16 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL10389690 0.77 CYP2D6 (0.40) CYP1A2CYP2D6MEN1KMT2AALDH1A1
SCHEMBL459518 0.72 ALOX15 (0.42) CYP19A1KMT2AALDH1A1EP300HIF1A
SCHEMBL28014428 0.70 LMNA (0.39) CYP1A2CYP2D6MEN1KMT2AALDH1A1
SCHEMBL28988205 0.70 CYP1A2 (0.34) CYP1A2CYP2D6
SCHEMBL23620708 0.70 CYP1A2 (0.34) CYP1A2CYP2D6
SCHEMBL3891585 0.69 SLC6A12 (0.40) CYP1A2CYP2D6
SCHEMBL14527264 0.69 CYP2D6 (0.40) CYP1A2CYP2D6MEN1KMT2AALDH1A1
SCHEMBL25963416 0.68 L3MBTL1 (0.40) CYP19A1MEN1KMT2AALDH1A1GAA
SCHEMBL19052835 0.68 MGAM (0.36) CYP1A2CYP2D6KMT2AALDH1A1GAA
SCHEMBL19052822 0.68 MGAM (0.36) CYP1A2CYP2D6KMT2AALDH1A1GAA

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
US-8883867-B2 Compositions and methods for recycling plastics comprising polymers via solvent treatment GREEN SOURCE HOLDINGS LLC (US) 2014-11-11 US disclosed
US-20130237620-A1 COMPOSITIONS AND METHODS FOR RECYCLING PLASTICS COMPRISING POLYMERS VIA SOLVENT TREATMENT GREEN SOURCE ENERGY LLC (US) 2013-09-12 US disclosed
WO-2012033742-A1 COMPOSITIONS AND METHODS FOR RECYLCLING PLASTICS COMPRISING POLYMERS VIA SOLVENT TREATMENT GREEN SOURCE ENERGY LLC (US) 2012-03-15 WO disclosed