SCHEMBL29039775

SCHEMBL29039775

C=C(C)C(=O)OC(CCC)CCOc1ccc(C(=O)Oc2ccc(-c3cc(OCCC(CCC)OC(=O)C(=C)C)ccc3C(=O)O)cc2CF)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 6/20 0.36
PPARG P37231 4/20 0.36
MCL1 Q07820 1/20 0.36
PTPN11 Q06124 4/20 0.35
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RARB P10826 2/20 0.33
RARA P10276 1/20 0.33
PPARA Q07869 3/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
MAPT P10636 1/20 0.32
GRM2 Q14416 1/20 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
SCHEMBL28958534 0.90 PPARG (0.39) PPARDPPARGMCL1PTPN11POLB
SCHEMBL29039773 0.86 MAPT (0.37) PPARDPPARGPOLBAPEX1HTT
SCHEMBL29039782 0.85 HTT (0.48) PPARDPPARGMCL1PTPN11POLB
SCHEMBL28958369 0.79 PPARG (0.37) PPARDPPARGPTPN11POLBAPEX1
SCHEMBL29039779 0.78 SRD5A2 (0.37) PPARDPPARGMCL1POLBAPEX1
SCHEMBL28958531 0.76 MAPT (0.41) PPARDPPARGPOLBAPEX1HTT
SCHEMBL28880963 0.74 POLB (0.51) PPARDPPARGMCL1PTPN11POLB
SCHEMBL29039783 0.70 NPC1 (0.37) PPARDPPARGPOLBHTTSMN1; SMN2
SCHEMBL29039780 0.69 POLB (0.53) POLBAPEX1HTTTDP1SMN1; SMN2
SCHEMBL30337241 0.68 HTT (0.64) POLBAPEX1HTTTDP1RARB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116083090-A Self-layering liquid crystal composition, achromatic quarter wave plate film and preparation method 上海先幻高科新材料有限公司 2023-05-09 CN claimed
CN-116083090-B Self-layering liquid crystal composition, achromatic quarter wave plate film and preparation method 上海先幻高科新材料有限公司 2024-07-05 CN disclosed
CN-116083090-A Self-layering liquid crystal composition, achromatic quarter wave plate film and preparation method 上海先幻高科新材料有限公司 2023-05-09 CN disclosed