SCHEMBL28732999

SCHEMBL28732999

Oc1ccc(C(CC2CO2)(CC2CO2)CC2CO2)c(O)c1O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 3/20 0.33
ADRA2B P18089 3/20 0.33
ADRA2C P18825 3/20 0.33
ADRA1D P25100 3/20 0.33
ADRA1A P35348 3/20 0.33
ADRA1B P35368 3/20 0.33
DRD1 P21728 3/20 0.32

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
SCHEMBL29494170 0.71 G6PD (0.36)
SCHEMBL1487504 0.65
SCHEMBL29398692 0.65 TSHR (0.35)
SCHEMBL5468903 0.64 TDP1 (0.34)
SCHEMBL5605483 0.64 TSHR (0.40)
SCHEMBL7721987 0.63 TSHR (0.47)
SCHEMBL4847009 0.63 ALDH1A1 (0.41) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL31619901 0.63 ALDH1A1 (0.37)
SCHEMBL9778183 0.62 PTPN1 (0.35) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL31504058 0.62 PTPN1 (0.35) ADRA2AADRA2BADRA2CADRA1DADRA1A

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
CN-114437624-A Polyimide varnish, method for producing polyimide film, and method for producing patterned polyimide film 东京应化工业株式会社 2022-05-06 CN disclosed