SCHEMBL30712871

SCHEMBL30712871

CCOCCOCCOc1ccc(OCCOCCOCC)c(C=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
NCF1 P14598 2/20 0.47
KDM4E B2RXH2 3/20 0.46
RAB9A P51151 1/20 0.46
TUBB1 Q9H4B7 1/20 0.46
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
P2RY12 Q9H244 1/20 0.44
HPGD P15428 3/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RECQL P46063 1/20 0.41
FDPS P14324 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
THRA P10827 1/20 0.40

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
SCHEMBL29142665 1.00 ALDH1A1 (0.48) ALDH1A1NCF1KDM4ERAB9ATUBB1
SCHEMBL273429 0.83 ERN1 (0.52) ALDH1A1KDM4ERAB9ATUBB1HPGD
SCHEMBL1790721 0.83 TUBB1 (0.50) ALDH1A1KDM4ERAB9ATUBB1HPGD
SCHEMBL31220884 0.83 LMNA (0.49) ALDH1A1NCF1KDM4ERAB9AHPGD
SCHEMBL4961552 0.83 LMNA (0.47) NCF1KDM4ETUBB1PDE3BPDE3A
SCHEMBL271557 0.82 LMNA (0.51) ALDH1A1KDM4ERAB9ATUBB1MAPT
SCHEMBL3782428 0.81 TUBB1 (0.49) ALDH1A1KDM4ERAB9ATUBB1HPGD
SCHEMBL29416966 0.80 NCF1 (0.49) NCF1KDM4EPDE3BPDE3AP2RY12
SCHEMBL18810189 0.80 NCF1 (0.49) NCF1KDM4EPDE3BPDE3AP2RY12
SCHEMBL19342444 0.77 TUBB1 (0.47) ALDH1A1KDM4ERAB9ATUBB1HPGD

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-117106150-A Novel 2D polymer, lithium-sulfur battery diaphragm and preparation method and application thereof 中山大学 2023-11-24 CN disclosed
CN-117106150-A Novel 2D polymer, lithium-sulfur battery diaphragm and preparation method and application thereof 中山大学 2023-11-24 CN disclosed