SCHEMBL29039780

SCHEMBL29039780

C=C(C)C(=O)OCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCOC(=O)C(=C)C)cc3)c(CF)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
APEX1 P27695 1/20 0.53
HTT P42858 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
KMT2A Q03164 5/20 0.40
MAPT P10636 4/20 0.40
NPC1 O15118 3/20 0.40
LMNA P02545 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PRSS1 P07477 1/20 0.38

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
SCHEMBL9066426 0.87 POLB (0.59) POLBAPEX1HTTTDP1KMT2A
SCHEMBL9066457 0.87 POLB (0.59) POLBAPEX1HTTTDP1KMT2A
SCHEMBL9066429 0.87 POLB (0.59) POLBAPEX1HTTTDP1KMT2A
SCHEMBL9066976 0.87 POLB (0.59) POLBAPEX1HTTTDP1KMT2A
SCHEMBL9067998 0.87 POLB (0.59) POLBAPEX1HTTTDP1KMT2A
SCHEMBL13837965 0.87 POLB (0.55) POLBAPEX1HTTTDP1KMT2A
SCHEMBL15398077 0.86 POLB (0.49) POLBAPEX1HTTTDP1KMT2A
SCHEMBL803172 0.86 TDP1 (0.56) POLBAPEX1HTTTDP1KMT2A
SCHEMBL12975838 0.85 POLB (0.57) POLBAPEX1HTTTDP1KMT2A
SCHEMBL12975835 0.85 POLB (0.57) POLBAPEX1HTTTDP1KMT2A

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