SCHEMBL28512690

SCHEMBL28512690

CCCCOc1ccc(CC(C(=O)OC)C(=O)OC)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.67
PPARD Q03181 5/20 0.67
PPARA Q07869 4/20 0.67
KDM4E B2RXH2 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
PDE4A P27815 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HIF1A Q16665 1/20 0.55
HDAC10 Q969S8 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
ACACB O00763 1/20 0.54
PTPRB P23467 1/20 0.51

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
SCHEMBL20395690 0.94 PPARG (0.67) PPARGPPARDPPARAACACBPTPRB
SCHEMBL6696075 0.89 PPARG (0.66) PPARGPPARDPPARAPTPRB
SCHEMBL6704879 0.88 PPARG (0.71) PPARGPPARDPPARAPTPRB
SCHEMBL6382746 0.88 PPARG (0.67) PPARGPPARDPPARAACACBPTPRB
SCHEMBL20395698 0.87 PPARG (0.62) PPARGPPARDPPARAACACBPTPRB
SCHEMBL6484840 0.86 PPARG (0.65) PPARGPPARDPPARAACACBPTPRB
SCHEMBL29925940 0.86 SMN1; SMN2 (0.54) PPARGPPARDPPARAKDM4ECYP1A2
SCHEMBL14392111 0.86 SMN1; SMN2 (0.54) PPARGPPARDPPARAKDM4ECYP1A2
SCHEMBL6381590 0.85 PPARG (0.61) PPARGPPARDPPARA
SCHEMBL13126082 0.85 ACACB (0.55) PPARGPPARDPPARAKDM4ECYP1A2

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-112204065-B Process for preparing polyisocyanate polymers and polyisocyanurate plastics 科思创知识产权两合公司 2023-03-28 CN disclosed
CN-112204065-A Process for preparing polyisocyanate polymers and polyisocyanurate plastics 科思创知识产权两合公司 2021-01-08 CN disclosed