SCHEMBL8207602

SCHEMBL8207602

CCCCOC(=O)C1CCOC1C(=O)OCCCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
ATM Q13315 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
RAB9A P51151 1/20 0.36
HSD17B10 Q99714 1/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
PPM1B O75688 1/20 0.36
PTPN1 P18031 1/20 0.36
PPP1CC P36873 1/20 0.36
AHCY P23526 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
NAAA Q02083 1/20 0.33

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
SCHEMBL8207605 0.91 PPM1B (0.40) ALDH1A1SMN1; SMN2LMNAPOLBATM
SCHEMBL7669796 0.79 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2LMNAPOLBATM
SCHEMBL7669797 0.79 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2LMNAPOLBATM
SCHEMBL8213451 0.78 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAPOLBATM
SCHEMBL1298046 0.77 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2LMNAPOLBATM
SCHEMBL2251674 0.75 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2LMNAPOLBATM
SCHEMBL234282 0.75 ALDH1A1 (0.48) ALDH1A1ATMCHRM2CHRM4CHRM5
SCHEMBL813586 0.75 ALDH1A1 (0.48) ALDH1A1ATMCHRM2CHRM4CHRM5
SCHEMBL2583177 0.75 ALDH1A1 (0.48) ALDH1A1ATMCHRM2CHRM4CHRM5
SCHEMBL812938 0.75 ALDH1A1 (0.48) ALDH1A1ATMCHRM2CHRM4CHRM5

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-0988299-A1 POLYMERISABLE, OPTICALLY ACTIVE DIOXOLANE DIESTERS Rolic AG (CH) 2000-03-29 EP disclosed
WO-1998055473-A1 POLYMERISABLE, OPTICALLY ACTIVE DIOXOLANE DIESTERS ROLIC AG (CH) 1998-12-10 WO disclosed