SCHEMBL9400329

SCHEMBL9400329

CCOC(=O)/C=C(C)/C=C/C1CC1c1ccc(Cl)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 10/20 0.44
SLC6A4 P31645 9/20 0.44
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL9400335 1.00 SLC6A3 (0.44) SLC6A3SLC6A4MAPTMAPK1HTT
SCHEMBL9400333 1.00 SLC6A3 (0.44) SLC6A3SLC6A4MAPTMAPK1HTT
SCHEMBL9518943 0.89 SLC6A3 (0.48) SLC6A3SLC6A4MAPTMAPK1HTT
SCHEMBL9518954 0.89 SLC6A3 (0.48) SLC6A3SLC6A4MAPTMAPK1HTT
SCHEMBL9254794 0.85 KDM4E (0.36) SLC6A3SLC6A4MAPTKDM4EMEN1
SCHEMBL9254789 0.85 KDM4E (0.36) SLC6A3SLC6A4MAPTKDM4EMEN1
SCHEMBL9254792 0.85 KDM4E (0.36) SLC6A3SLC6A4MAPTKDM4EMEN1
SCHEMBL9580506 0.84 SLC6A3 (0.46) SLC6A3SLC6A4
SCHEMBL9580509 0.84 SLC6A3 (0.46) SLC6A3SLC6A4
SCHEMBL8967126 0.83 RXRA (0.50) SLC6A3SLC6A4MAPTKDM4E

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
US-5326755-A Contain cyclopropane ring ROUSSEL UCLAF 1994-07-05 US disclosed