SCHEMBL9162408

SCHEMBL9162408

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
GAA P10253 1/20 0.38
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
HTR1A P08908 2/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1B P35368 1/20 0.33
ALDH1A1 P00352 2/20 0.31
BRD4 O60885 1/20 0.31
ABL1 P00519 1/20 0.31
LMNA P02545 1/20 0.31
RAB9A P51151 1/20 0.31
RIN1 Q13671 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL9159381 1.00 PABPC1 (0.38) PABPC1CTDSP1GAATMEM97SIGMAR1
SCHEMBL9430245 0.84 PABPC1 (0.36) PABPC1CTDSP1GAATMEM97SIGMAR1
SCHEMBL9162801 0.82 PABPC1 (0.35) PABPC1CTDSP1GAA
SCHEMBL9159223 0.82 PABPC1 (0.35) PABPC1CTDSP1GAA
SCHEMBL29392716 0.80 PABPC1 (0.36) PABPC1CTDSP1GAAHTR1AADRA1D
SCHEMBL26054727 0.80 PABPC1 (0.36) PABPC1CTDSP1GAA
SCHEMBL14932765 0.76 PABPC1 (0.36) PABPC1CTDSP1GAATMEM97SIGMAR1
SCHEMBL26598823 0.76 ALDH1A1 (0.47) PABPC1CTDSP1GAASIGMAR1ALDH1A1
SCHEMBL1030223 0.74 HCRTR2 (0.39) TMEM97SIGMAR1
SCHEMBL2038232 0.74 HCRTR2 (0.39) TMEM97SIGMAR1

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
EP-0426253-B1 Process for the separation of R and S-2,2R1, R2-1,3-dioxolane-4-carboxylic acid SHELL INT RESEARCH (NL) 1995-02-22 EP disclosed
US-5164519-A Process for the separation of R and S-2,2-R1,R2 -1,3-dioxolane-4-carboxylic acid SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 1992-11-17 US disclosed
EP-0426253-A1 Process for the separation of R and S-2,2R1, R2-1,3-dioxolane-4-carboxylic acid SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1991-05-08 EP disclosed