SCHEMBL3763202

SCHEMBL3763202

COC(=O)CC(O)(CCC=C(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.38
DGAT1 O75907 1/20 0.37
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA14 Q9ULX7 1/20 0.35
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
HIF1A Q16665 1/20 0.30
EPAS1 Q99814 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
SCHEMBL1736059 0.84 ALOX15 (0.37) ALOX15LMNA
SCHEMBL1734711 0.83 ALOX15 (0.37) ALOX15
SCHEMBL28483044 0.82 DGAT1 (0.48) DGAT1CA12CA2CA14LMNA
SCHEMBL12746064 0.81 ALOX15 (0.40) ALOX15HIF1AEPAS1
SCHEMBL6434714 0.79 ALOX15 (0.43) ALOX15CA12CA2CA14LMNA
SCHEMBL28483049 0.72 DGAT1 (0.45) DGAT1CA12CA2CA14LMNA
SCHEMBL14624782 0.71 TSHR (0.36) ALOX15
SCHEMBL2829358 0.70 DGAT1 (0.41) DGAT1CA12CA2CA14
SCHEMBL3413681 0.69 HSD17B10 (0.35)
SCHEMBL12826838 0.69 HSD17B10 (0.35)

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-RE45128-E1 Cephalotaxane derivatives and their processes of preparation and purification IVAX International GmbH (CH) 2014-09-09 US disclosed
US-7842687-B2 Natural, synthetic or semi-synthetic crude harringtonines purified by chromatography and crystallization in which the solvent is water or lower C1-4 alkanol or an aqueous mixture of organic solvents; treatment of cancer through oral administration CHEMGENEX PHARMACEUTICALS, INC. (AU) 2010-11-30 US disclosed