SCHEMBL6434714

SCHEMBL6434714

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 7/20 0.43
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
HIF1A Q16665 2/20 0.33
EPAS1 Q99814 2/20 0.33
CYP3A4 P08684 2/20 0.33
PTPN1 P18031 1/20 0.33
LMNA P02545 1/20 0.33
BTN3A1 O00481 1/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA14 Q9ULX7 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ATM Q13315 1/20 0.32
MEN1 O00255 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL28084645 0.83 ALOX15 (0.44) ALOX15MGAMGAASIMGAM2
SCHEMBL6436094 0.79 HMGCR (0.54) ALOX15HIF1ACYP3A4ALDH1A1TSHR
SCHEMBL1734711 0.79 ALOX15 (0.37) ALOX15MGAMGAASIMGAM2
SCHEMBL3763202 0.79 ALOX15 (0.38) ALOX15HIF1AEPAS1CYP3A4LMNA
SCHEMBL12746064 0.78 ALOX15 (0.40) ALOX15HIF1AEPAS1
SCHEMBL7047649 0.76 HMGCR (0.50) MGAMGAASIMGAM2LMNA
SCHEMBL9946195 0.75 HSD17B10 (0.39) MGAMGAASIMGAM2LMNA
SCHEMBL10892827 0.75 TSHR (0.39) MGAMGAASIMGAM2LMNA
SCHEMBL1736059 0.74 ALOX15 (0.37) ALOX15MGAMGAASIMGAM2
SCHEMBL10767936 0.73 TSHR (0.37) MGAMGAASIMGAM2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104803853-B Anti-Vibrio vulnificus monoterpene derivative, and preparation method and application thereof 中国科学院海洋研究所 2017-02-22 CN claimed
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
US-7169774-B2 Cephalotaxane derivatives and their processes of preparation and purification STRAGEN PHARMA S.A. (CH) 2007-01-30 US disclosed
EP-1109798-B1 GERANIC ACID DERIVATIVES FIRMENICH & CIE (CH) 2005-10-12 EP disclosed
US-6384242-B1 4-METHYL-4-(4-METHYLPENT-3-EN-1-YL)-2-OXETANONE; ITS SYNTHESIS FROM 6-METHYL-5-HEPTEN-2-ONE AND KETENE; INTERMEDIATE FOR 3-HYDROXYCITRONELLIC ESTERS AND 2,6-DIMETHYLHEPTADIENE/1,5-/ UPON PYROLYSIS FIRMENICH SA (CH) 2002-05-07 US disclosed
EP-1109798-A1 GERANIC ACID DERIVATIVES FIRMENICH SA (CH) 2001-06-27 EP disclosed
WO-2000014080-A1 GERANIC ACID DERIVATIVES FIRMENICH S.A. (CH) 2000-03-16 WO disclosed