SCHEMBL14036738

SCHEMBL14036738

CC(=O)OCC(COCCCCCCCCCCOCI)OC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 1/20 0.44
PTAFR P25105 1/20 0.44
HTR1D P28221 1/20 0.44
HTR2C P28335 1/20 0.44
ADRA1B P35368 1/20 0.44
DRD3 P35462 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
PRKCA P17252 3/20 0.42
TDP1 Q9NUW8 1/20 0.38
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
PLA2G2C Q5R387 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL10894210 0.87 ADRA1D (0.55) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL10824976 0.87 ADRA1D (0.55) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL8435468 0.87 ADRA1D (0.55) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL8438758 0.87 ADRA1D (0.55) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL5017334 0.86 PRKCA (0.47) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL5025539 0.84 ADRA1D (0.44) ADRA1DPTAFRHTR1DHTR2CADRA1B
Triacetin SCHEMBL17821531 0.84 PRKCA (0.55) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL13449715 0.83 ALDH1A1 (0.53) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL5015534 0.81 USP2 (0.52) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL14017253 0.80 ALDH1A1 (0.50) ADRA1DPTAFRHTR1DHTR2CADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1465876-B1 LONG CHAIN FATTY ALCOHOL SUBSTITUENTS IN ANTINEOPLASTIC AGENTS PFAENDLER HANS RUDOLF (DE) 2008-11-05 EP disclosed