SCHEMBL3408886

SCHEMBL3408886

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

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
MAPK1 P28482 1/20 0.32
MEN1 O00255 1/20 0.31
HPGD P15428 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TSHR P16473 1/20 0.31
PTGES O14684 1/20 0.31
MMP1 P03956 2/20 0.31
MMP9 P14780 2/20 0.31
MMP13 P45452 2/20 0.31
ADAM17 P78536 2/20 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
SCHEMBL3413681 0.77 HSD17B10 (0.35) MGAMGAASIMGAM2MAPK1
SCHEMBL12826838 0.77 HSD17B10 (0.35) MGAMGAASIMGAM2MAPK1
SCHEMBL12746001 0.77 TSHR (0.38) MGAMGAASIMGAM2MAPK1
SCHEMBL1462621 0.75 ALDH1A1 (0.43) MAPK1MEN1KMT2A
SCHEMBL11859635 0.74 MAPK1 (0.38) MAPK1MEN1KMT2ATSHRPTGES
SCHEMBL1462907 0.73 MGAM (0.31) MGAMGAASIMGAM2MAPK1
SCHEMBL1462910 0.73 MGAM (0.31) MGAMGAASIMGAM2MAPK1
SCHEMBL29235155 0.68 HSD17B10 (0.41) MGAMGAASIMGAM2MEN1
SCHEMBL2999438 0.68 HSD17B10 (0.38) MGAMGAASIMGAM2MEN1
SCHEMBL8411060 0.68 ALDH1A1 (0.36) MAPK1MEN1KMT2ATSHR

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
EP-2260041-A2 CEPHALOTAXUS ESTERS, METHODS OF SYNTHESIS, AND USES THEREOF Sloan Kettering Institute For Cancer Research (US) 2010-12-15 EP disclosed
WO-2009148654-A2 CEPHALOTAXUS ESTERS, METHODS OF SYNTHESIS, AND USES THEREOF SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2009-12-10 WO disclosed