SCHEMBL29039779

SCHEMBL29039779

C=C(C)C(=O)OC(C)CCOc1ccc(C(=O)Oc2ccc(-c3cc(OCCC(C)OC(=O)C(=C)C)ccc3C(=O)O)cc2C(F)(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
S1PR1 P21453 7/20 0.35
PPARG P37231 3/20 0.34
PPARD Q03181 3/20 0.34
PPARA Q07869 3/20 0.34
AAK1 Q2M2I8 1/20 0.34
S1PR5 Q9H228 5/20 0.34
S1PR3 Q99500 4/20 0.34
RXRA P19793 2/20 0.34
RXRB P28702 2/20 0.34
RXRG P48443 2/20 0.34
MAPK1 P28482 1/20 0.34
MCL1 Q07820 1/20 0.33
RARB P10826 1/20 0.33
GSTP1 P09211 1/20 0.33

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
SCHEMBL28958369 0.89 PPARG (0.37) FFAR4POLBAPEX1HTTTDP1
SCHEMBL29039778 0.86 PPARG (0.37) SRD5A2POLBAPEX1HTTTDP1
SCHEMBL28958534 0.78 PPARG (0.39) FFAR4POLBAPEX1HTTTDP1
SCHEMBL29039775 0.78 PPARD (0.36) FFAR4POLBAPEX1HTTTDP1
SCHEMBL28880963 0.75 POLB (0.51) FFAR4POLBAPEX1HTTTDP1
SCHEMBL28958365 0.75 POLB (0.39) POLBAPEX1HTTTDP1PPARG
SCHEMBL29039782 0.74 HTT (0.48) FFAR4POLBAPEX1HTTTDP1
SCHEMBL28605787 0.69 HTT (0.58) POLBAPEX1HTTTDP1RARB
SCHEMBL9193087 0.67 PTPN11 (0.60) MCL1RARB
SCHEMBL20719925 0.67 PTPN11 (0.60) MCL1RARB

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