SCHEMBL13064850

SCHEMBL13064850

COc1cc(C(=O)OCC(C)(CI)COC(=O)c2ccccc2)cc(OC)c1OC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 2/20 0.57
▸ OPRD1 P41143 2/20 0.57
▸ NR1I2 O75469 1/20 0.57
▸ CHRM2 P08172 1/20 0.57
▸ ADORA3 P0DMS8 1/20 0.57
▸ ADRA2B P18089 1/20 0.57
▸ SLC6A4 P31645 1/20 0.57
▸ OPRK1 P41145 1/20 0.57
▸ CHRNA4 P43681 1/20 0.57
▸ SLC6A3 Q01959 1/20 0.57
▸ PDE4D Q08499 1/20 0.57
▸ KCNH2 Q12809 1/20 0.57
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ MAPK1 P28482 3/20 0.52
▸ ALDH1A1 P00352 3/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ HIF1A Q16665 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ LMNA P02545 1/20 0.52

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
SCHEMBL12930126 0.86 OPRM1 (0.67) OPRM1OPRD1NR1I2CHRM2ADORA3
SCHEMBL12930127 0.86 OPRM1 (0.67) OPRM1OPRD1NR1I2CHRM2ADORA3
SCHEMBL2612557 0.84 SLC29A1 (0.56) OPRM1OPRD1NR1I2CHRM2ADORA3
SCHEMBL14092784 0.79 KMT2A (0.54) OPRM1OPRD1NR1I2CHRM2ADORA3
SCHEMBL824723 0.78 OPRM1 (0.63) OPRM1OPRD1NR1I2CHRM2ADORA3
SCHEMBL16525895 0.78 OPRM1 (0.69) OPRM1OPRD1NR1I2CHRM2ADORA3
SCHEMBL8148066 0.76 TSHR (0.59) OPRM1OPRD1NR1I2CHRM2ADORA3
SCHEMBL2612570 0.76 SLC29A1 (0.57) OPRM1OPRD1NR1I2CHRM2ADORA3
SCHEMBL18725019 0.76 OPRM1 (0.58) OPRM1OPRD1NR1I2CHRM2ADORA3
SCHEMBL2020359 0.76 MAPK1 (0.71) SLC6A3MAPK1ALDH1A1KMT2AHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2248850-A1 CELLULOSE RESIN COMPOSITION AND CELLULOSE RESIN FILM Adeka Corporation (JP) 2010-11-10 — — EP disclosed
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