SCHEMBL7439627

SCHEMBL7439627

CCC(C)c1c(Cc2ccccc2)cccc1[C](Cc1ccccc1)Cc1ccccc1C1CC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.33
SCN2A Q99250 1/20 0.33
SCN3A Q9NY46 1/20 0.33
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
XIAP P98170 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL9535770 0.76 L3MBTL1 (0.38) L3MBTL1
SCHEMBL7444364 0.71 MAPT (0.40) SLC6A2SLC6A4SLC6A3L3MBTL1
SCHEMBL7445854 0.69 SCN1A (0.36) SCN1ASCN2ASCN3AL3MBTL1XIAP
SCHEMBL7427062 0.68 SIGMAR1 (0.36) SLC6A2SLC6A4SLC6A3
SCHEMBL7442500 0.67 TRPA1 (0.34) SLC6A2SLC6A4SLC6A3KDM4E
SCHEMBL7435318 0.67 SCN1A (0.38) SCN1ASCN2ASCN3AL3MBTL1
SCHEMBL7432308 0.66 SCN1A (0.37) SCN1ASCN2ASCN3AL3MBTL1
SCHEMBL9130879 0.66 ALDH1A1 (0.39) SLC6A2SLC6A4SLC6A3
SCHEMBL7436705 0.65 L3MBTL1 (0.37) L3MBTL1
SCHEMBL9131964 0.65 ALDH1A1 (0.37) SLC6A2SLC6A4SLC6A3KDM4E

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-5491149-A VIRICIDES THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-02-13 US disclosed