SCHEMBL8003670

SCHEMBL8003670

CCC(=O)O[Si](CC(C)C)(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.37
TSHR P16473 2/20 0.37
GAA P10253 1/20 0.35
ALDH1A1 P00352 3/20 0.34
KCNH2 Q12809 3/20 0.34
OPRM1 P35372 2/20 0.34
OPRD1 P41143 2/20 0.34
HTR2A P28223 2/20 0.34
ATM Q13315 1/20 0.34
MRGPRX2 Q96LB1 1/20 0.34
CHRM3 P20309 1/20 0.34
HRH2 P25021 1/20 0.34
ADRA1A P35348 1/20 0.34
OPRK1 P41145 1/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
ALOX15 P16050 1/20 0.33
PGR P06401 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
SCHEMBL205674 0.75 ELANE (0.43) ELANETSHRGAAALDH1A1OPRM1
SCHEMBL6054098 0.75 ELANE (0.43) ELANETSHRGAAALDH1A1OPRM1
SCHEMBL9175019 0.75 LMNA (0.32) TSHRALDH1A1ATMLMNA
SCHEMBL19858510 0.74 ELANE (0.42) ELANETSHRGAACES2CES1
SCHEMBL18270226 0.70 ALDH1A1 (0.35) ELANETSHRALDH1A1MEN1POLB
SCHEMBL9845210 0.70 ELANE (0.39) ELANEGAAALDH1A1OPRM1OPRD1
SCHEMBL9488309 0.70 ELANE (0.39) ELANETSHRGAAALDH1A1MTNR1A
SCHEMBL19858515 0.70 ELANE (0.39) ELANETSHRGAACES2CES1
SCHEMBL7479973 0.69 LMNA (0.30) LMNA
SCHEMBL1695051 0.67 HTT (0.41) TSHRALDH1A1MEN1KMT2A

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
US-6153596-A Polycationic oligomers EMORY UNIVERSITY (US) 2000-11-28 US disclosed
WO-1998027209-A1 POLYCATIONIC OLIGOMERS EMORY UNIVERSITY (US) 1998-06-25 WO disclosed