SCHEMBL29664322

SCHEMBL29664322

COc1cc(C2OCCCO2)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.60
PPARD Q03181 3/20 0.60
ALOX5 P09917 1/20 0.60
PTPN1 P18031 1/20 0.60
CYP3A4 P08684 2/20 0.55
CA2 P00918 2/20 0.54
NR3C1 P04150 2/20 0.54
QDPR P09417 2/20 0.54
TSHR P16473 1/20 0.54
PPARA Q07869 1/20 0.49
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MAOB P27338 1/20 0.46

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
SCHEMBL1245208 0.97 PPARG (0.60) PPARGPPARDALOX5PTPN1CYP3A4
SCHEMBL356702 0.95 PPARG (0.59) PPARGPPARDALOX5PTPN1CYP3A4
SCHEMBL3690573 0.93 PPARG (0.64) PPARGPPARDALOX5PTPN1CYP3A4
SCHEMBL18555689 0.85 ALDH1A1 (0.55) NR3C1ALDH1A1GAA
SCHEMBL14322565 0.83 GAA (0.51) PPARGPPARDALOX5PTPN1ALDH1A1
SCHEMBL28764968 0.83 PPARD (0.63) PPARGPPARDALOX5PTPN1CYP3A4
SCHEMBL29682746 0.83 PPARG (0.59) PPARGPPARDALOX5PTPN1CYP3A4
SCHEMBL10495514 0.83 PPARG (0.59) PPARGPPARDALOX5PTPN1CYP3A4
SCHEMBL31546100 0.81 ALOX5 (0.57) PPARGPPARDALOX5PTPN1CYP3A4
SCHEMBL11588846 0.81 PTPN1 (0.57) PPARGPPARDALOX5PTPN1CYP3A4

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-114507329-A PH response controllable degradable polyurethane and preparation method thereof 中国人民大学 2022-05-17 CN disclosed