SCHEMBL11014451

SCHEMBL11014451

CCCCCCCCCCCCCCCCCCOCC(C[CH]C[N+](C)(C)C)OC(=O)N(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 2/20 0.41
PRKCG P05129 2/20 0.41
PRKCB P05771 2/20 0.41
PRKCA P17252 2/20 0.41
PRKCH P24723 2/20 0.41
PRKCI P41743 2/20 0.41
PRKCE Q02156 2/20 0.41
PRKCQ Q04759 2/20 0.41
PRKCZ Q05513 2/20 0.41
PRKCD Q05655 2/20 0.41
PRKD1 Q15139 2/20 0.41
ADRA1D P25100 1/20 0.41
PTAFR P25105 1/20 0.41
HTR1D P28221 1/20 0.41
HTR2C P28335 1/20 0.41
ADRA1B P35368 1/20 0.41
DRD3 P35462 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
SPHK1 Q9NYA1 1/20 0.39
RECQL P46063 1/20 0.37

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
SCHEMBL9863620 0.78 USP2 (0.51) PRKCAPRKCEPRKCQPRKCDSPHK1
SCHEMBL11014455 0.76 SPHK1 (0.40) PRKD3PRKCGPRKCBPRKCAPRKCH
Hydrochloric Acid SCHEMBL9863873 0.75 ADRA1D (0.43) ADRA1DPTAFRHTR1DHTR2CADRA1B
Iodide SCHEMBL9863487 0.74 ADRA1D (0.45) ADRA1DPTAFRHTR1DHTR2CADRA1B
SCHEMBL10832041 0.72 ADRA1D (0.78) PRKD3PRKCGPRKCBPRKCAPRKCH
Bromide SCHEMBL9863740 0.72
SCHEMBL10598145 0.71 ADRA1D (0.70) PRKD3PRKCGPRKCBPRKCAPRKCH
SCHEMBL10716217 0.70 ADRA1D (0.46) PRKD3PRKCGPRKCBPRKCAPRKCH
Hydrochloric Acid SCHEMBL9863634 0.69 DNM1 (0.36) ALDH1A1LMNA
SCHEMBL8688629 0.69 PRKCA (0.41) PRKCAPRKCDMAPK1LMNA

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-0094186-B1 GLYCEROL DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1986-07-30 EP claimed