SCHEMBL9527783

SCHEMBL9527783

O=C(Cl)O[C@@H]1COC2(CCCCC2)O1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
GAA P10253 1/20 0.33
TMEM97 Q5BJF2 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
HTR1A P08908 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1B P35368 1/20 0.30

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
SCHEMBL10374015 0.78 CA2 (0.35) TMEM97SIGMAR1
SCHEMBL9430245 0.73 PABPC1 (0.36) PABPC1CTDSP1GAATMEM97SIGMAR1
SCHEMBL605247 0.72 PABPC1 (0.41) PABPC1CTDSP1GAATMEM97SIGMAR1
SCHEMBL8864241 0.71
SCHEMBL14932765 0.69 PABPC1 (0.36) PABPC1CTDSP1GAATMEM97SIGMAR1
SCHEMBL29392716 0.69 PABPC1 (0.36) PABPC1CTDSP1GAAHTR1AADRA1D
SCHEMBL9159381 0.68 PABPC1 (0.38) PABPC1CTDSP1GAATMEM97SIGMAR1
SCHEMBL9107126 0.68 TSHR (0.32) TMEM97SIGMAR1
SCHEMBL9162408 0.68 PABPC1 (0.38) PABPC1CTDSP1GAATMEM97SIGMAR1
SCHEMBL28981959 0.66

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-0365820-B1 Utilization of optically active ester of oxygen containing heterocyclic carboxylic acids as doping agents in liquid crystalline mixtures, and those mixtures containing them HOECHST AG (DE) 1993-12-29 EP disclosed
EP-0365820-A1 Utilization of optically active ester of oxygen containing heterocyclic carboxylic acids as doping agents in liquid crystalline mixtures, and those mixtures containing them HOECHST AKTIENGESELLSCHAFT (DE) 1990-05-02 EP disclosed