SCHEMBL5042178

SCHEMBL5042178

C=CC1(C=C)CCCCOC1=O.O=C1OCCCCC1(c1cccc2ccccc12)c1cccc2ccccc12

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 8/20 0.39
SLC6A4 P31645 7/20 0.39
SLC6A2 P23975 6/20 0.38
SIRT2 Q8IXJ6 1/20 0.30
SIRT1 Q96EB6 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL576747 0.89 SLC6A3 (0.47) SLC6A3SLC6A4SLC6A2KDM4EMEN1
SCHEMBL576331 0.85 SLC6A3 (0.44) SLC6A3SLC6A4SLC6A2KDM4EMEN1
SCHEMBL577013 0.79 SLC6A3 (0.43) SLC6A3SLC6A4SLC6A2KDM4EMEN1
SCHEMBL576915 0.76 CA1 (0.33)
SCHEMBL983611 0.71 CA1 (0.30)
SCHEMBL576944 0.70 SLC6A3 (0.39) SLC6A3SLC6A4SLC6A2KDM4EMEN1
SCHEMBL7061778 0.68 SLC6A3 (0.43) SLC6A3SLC6A4SLC6A2KDM4EMEN1
SCHEMBL576840 0.67 PDE7A (0.38) MAPT
SCHEMBL576881 0.65 AKR1C1 (0.40) MEN1MAPK1KMT2A
SCHEMBL576589 0.64 LMNA (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1892789-A1 LITHIUM SECONDARY BATTERY Mitsubishi Chemical Corporation (JP) 2008-02-27 EP disclosed