SCHEMBL8875465

SCHEMBL8875465

CC1(C)OCC(C([O])=O)O1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.34
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
MAPK1 P28482 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
TP53 P04637 1/20 0.31
NFKB1 P19838 1/20 0.31
CYP2C19 P33261 1/20 0.31
THPO P40225 1/20 0.31
STAT6 P42226 1/20 0.31
HIF1A Q16665 1/20 0.31
CA1 P00915 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
NPC1 O15118 1/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
MTOR P42345 1/20 0.31
RAB9A P51151 1/20 0.31
BLM P54132 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
SCHEMBL883211 0.84 CA2 (0.35) CA2HCRTR1HCRTR2SMN1; SMN2CA1
SCHEMBL3020689 0.84 CA2 (0.35) CA2HCRTR1HCRTR2SMN1; SMN2CA1
SCHEMBL1826271 0.84 CA2 (0.35) CA2HCRTR1HCRTR2SMN1; SMN2CA1
SCHEMBL2038232 0.82 HCRTR2 (0.39) CA2HCRTR1HCRTR2TMEM97SIGMAR1
SCHEMBL1030224 0.82 HCRTR2 (0.39) CA2HCRTR1HCRTR2TMEM97SIGMAR1
SCHEMBL1030223 0.82 HCRTR2 (0.39) CA2HCRTR1HCRTR2TMEM97SIGMAR1
SCHEMBL15742160 0.80 GAA (0.38) CA2HCRTR1HCRTR2MAPK1CA1
SCHEMBL9162631 0.80 HCRTR2 (0.38) CA2HCRTR1HCRTR2TMEM97SIGMAR1
SCHEMBL2936815 0.80 HCRTR2 (0.38) CA2HCRTR1HCRTR2TMEM97SIGMAR1
Acetic Acid SCHEMBL21617326 0.80 HCRTR2 (0.38) CA2HCRTR1HCRTR2TMEM97SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5641428-A SHORT SWITCHING TIMES HOECHST AKTIENGESELLSCHAFT (DE) 1997-06-24 US disclosed
EP-0288813-B1 USE OF OPTICALLY ACTIVE 1,3-DIOXOLANE-4-CARBOXYLIC-ACID ESTERS AS DOPING AGENTS IN LIQUID CRYSTALS HOECHST AKTIENGESELLSCHAFT (DE) 1990-11-14 EP disclosed
EP-0288813-A1 Use of optically active 1,3-dioxolane-4-carboxylic-acid esters as doping agents in liquid crystals HOECHST AKTIENGESELLSCHAFT (DE) 1988-11-02 EP disclosed