SCHEMBL9490785

SCHEMBL9490785

CCC(COC(=O)C1CC=CCC1)(COC(=O)C1CC=CCC1)COC(=O)C1CC=CCC1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.38
TDP1 Q9NUW8 2/20 0.36
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 5/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
MAPT P10636 3/20 0.34
ALOX15 P16050 2/20 0.34
HTT P42858 1/20 0.34
ESR2 Q92731 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RAB9A P51151 1/20 0.33
PKM P14618 1/20 0.33
USP2 O75604 1/20 0.32

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
SCHEMBL25648750 0.85 MAPT (0.44) MIFTDP1ALDH1A1KDM4EMEN1
SCHEMBL29084231 0.85 MAPT (0.44) MIFTDP1ALDH1A1KDM4EMEN1
SCHEMBL472121 0.85 MAPT (0.44) MIFTDP1ALDH1A1KDM4EMEN1
SCHEMBL13649842 0.84 MIF (0.40) MIFTDP1ALDH1A1KDM4EMEN1
SCHEMBL13134775 0.84 MIF (0.40) MIFTDP1ALDH1A1KDM4EMEN1
SCHEMBL11680930 0.83 MAPT (0.42) MIFTDP1ALDH1A1KDM4EMEN1
SCHEMBL11747683 0.83 MAPT (0.42) MIFTDP1ALDH1A1KDM4EMEN1
SCHEMBL11680934 0.83 MAPT (0.42) MIFTDP1ALDH1A1KDM4EMEN1
SCHEMBL15929791 0.81 MIF (0.40) MIFTDP1ALDH1A1KDM4EMEN1
SCHEMBL4754792 0.79 PPM1B (0.41) MIFTDP1ALDH1A1KDM4EMEN1

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-5268489-A Reacting a cyclic diene with an actlated ester UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1993-12-07 US disclosed
EP-0520419-A2 Production of unsaturated cycloaliphatic esters and derivatives thereof UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1992-12-30 EP disclosed