SCHEMBL21787938

SCHEMBL21787938

C=C(C)C(=O)OCCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(OC)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.56
POLB P06746 1/20 0.56
APEX1 P27695 1/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 2/20 0.52
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
PPARA Q07869 2/20 0.48
GSK3B P49841 1/20 0.46
FFAR1 O14842 1/20 0.46
PPARG P37231 1/20 0.46
PPARD Q03181 1/20 0.46
CYP3A4 P08684 1/20 0.45
HDAC3 O15379 1/20 0.45
STAT3 P40763 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45

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
SCHEMBL28961924 1.00 TDP1 (0.56) TDP1POLBAPEX1HTTSMN1; SMN2
SCHEMBL28981019 1.00 TDP1 (0.56) TDP1POLBAPEX1HTTSMN1; SMN2
SCHEMBL13882297 0.97 TDP1 (0.53) TDP1POLBAPEX1HTTSMN1; SMN2
SCHEMBL14427873 0.97 TDP1 (0.53) TDP1POLBAPEX1HTTSMN1; SMN2
SCHEMBL16379477 0.93 TDP1 (0.54) TDP1POLBAPEX1HTTSMN1; SMN2
SCHEMBL28981046 0.92 POLB (0.57) TDP1POLBAPEX1HTTSMN1; SMN2
SCHEMBL28981044 0.92 POLB (0.57) TDP1POLBAPEX1HTTSMN1; SMN2
SCHEMBL14665875 0.91 POLB (0.59) TDP1POLBAPEX1HTTKMT2A
SCHEMBL28981004 0.91 POLB (0.56) TDP1POLBAPEX1HTTSMN1; SMN2
SCHEMBL28981018 0.91 POLB (0.56) TDP1POLBAPEX1HTTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115916853-B Polymer, and photo-alignment film and retardation film using the same 大阪有机化学工业株式会社 2024-07-09 CN disclosed
WO-2023171757-A1 POLYMER COMPOSITION, SINGLE LAYER PHASE DIFFERENCE MATERIAL, AND LIQUID CRYSTAL ALIGNMENT AGENT 日産化学株式会社 2023-09-14 WO disclosed
WO-2023095925-A1 POLYMER COMPOSITION AND SINGLE-LAYER RETARDATION MATERIAL 日産化学株式会社 2023-06-01 WO disclosed
CN-115916853-A Novel polymer, and photo-alignment film and retardation film using same 大阪有机化学工业株式会社 2023-04-04 CN disclosed
WO-2023008488-A1 POLYMER COMPOSITION AND SINGLE-LAYER RETARDATION MATERIAL 日産化学株式会社 2023-02-02 WO disclosed
WO-2020045548-A1 METHOD FOR PRODUCING LIQUID CRYSTAL ALIGNMENT FILM, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT 日産化学株式会社 2020-03-05 WO disclosed