SCHEMBL28117877

SCHEMBL28117877

O=C(O)c1ccccc1C(=O)OCCCC1CCCCC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.51
CHRM4 P08173 4/20 0.51
CHRM5 P08912 4/20 0.51
CHRM1 P11229 4/20 0.51
CHRM3 P20309 4/20 0.51
TSHR P16473 5/20 0.49
TDP1 Q9NUW8 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
ALDH1A1 P00352 4/20 0.48
CYP3A4 P08684 2/20 0.48
MAPK1 P28482 2/20 0.48
TP53 P04637 1/20 0.48
LMNA P02545 1/20 0.47
CYSLTR2 Q9NS75 1/20 0.45
CYSLTR1 Q9Y271 1/20 0.45
NAAA Q02083 1/20 0.43
ASAH1 Q13510 1/20 0.43
MCL1 Q07820 1/20 0.43
EPHX1 P07099 1/20 0.43
FABP4 P15090 1/20 0.42

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
SCHEMBL8631145 0.94 TSHR (0.54) CHRM2CHRM4CHRM5CHRM1CHRM3
Butylcyclohexane SCHEMBL28669995 0.91 TSHR (0.61) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL27823010 0.89 ALDH1A1 (0.63) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL27998817 0.89 ALDH1A1 (0.63) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL1020868 0.85 ALDH1A1 (0.51) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL27446307 0.80 TSHR (0.67) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL5709795 0.80 TSHR (0.70) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL23275567 0.80 TSHR (0.78) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL28188145 0.78 ALDH1A1 (0.71) TSHRTDP1L3MBTL1ALDH1A1CYP3A4
SCHEMBL1395556 0.78 ALDH1A1 (0.71) TSHRTDP1L3MBTL1ALDH1A1CYP3A4

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
CN-106380729-B Novel PVC heat stabilizer 邵卫东 2019-01-29 CN disclosed
CN-106380729-A Novel PVC heat stablizer 邵卫东 2017-02-08 CN disclosed