SCHEMBL16628831

SCHEMBL16628831

O=C1C=CC(=C(Br)c2ccsc2)O1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
LCK P06239 1/20 0.41
FYN P06241 1/20 0.41
DAO P14920 1/20 0.41
HDAC1 Q13547 1/20 0.38
HPGD P15428 1/20 0.33
HSD11B1 P28845 1/20 0.33
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 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
SCHEMBL12402369 1.00 CES2 (0.42) CES2CES1LCKFYNDAO
SCHEMBL2164763 0.82 CES2 (0.45) CES2CES1LCKFYNDAO
SCHEMBL2166147 0.76 LCK (0.42) CES2CES1LCKFYNDAO
SCHEMBL2166279 0.76 LCK (0.42) CES2CES1LCKFYNDAO
SCHEMBL2169050 0.76 LCK (0.42) CES2CES1LCKFYNDAO
SCHEMBL2313779 0.74 CES1 (0.34) CES2CES1DAOHPGD
SCHEMBL2165353 0.74 CES1 (0.34) CES2CES1DAOHPGD
SCHEMBL13430194 0.69 CES2 (0.33) CES2CES1LCKFYNDAO
SCHEMBL13429552 0.68 CES2 (0.33) CES2CES1LCKFYNDAO
SCHEMBL1961195 0.66

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-2350036-B1 METHYLENE FURANONE DERIVATIVES AND USE OF SAID DERIVATIVES AS A PHOTOPROTECTING OR ANTIOXIDANT OR DEPIGMENTATION AGENT IN COSMETIC OR DERMATOLOGICAL COMPOSITIONS PIERRE FABRE DERMO COSMÉTIQUE (FR) 2015-04-15 EP disclosed