SCHEMBL13429552

SCHEMBL13429552

O=C1C=C/C(=C(/c2ccsc2)C2C=CSC2)O1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
LCK P06239 1/20 0.32
FYN P06241 1/20 0.32
DAO P14920 1/20 0.32

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
SCHEMBL2164763 0.71 CES2 (0.45) CES2CES1LCKFYNDAO
SCHEMBL12402369 0.68 CES2 (0.42) CES2CES1LCKFYNDAO
SCHEMBL16628831 0.68 CES2 (0.42) CES2CES1LCKFYNDAO
SCHEMBL2166147 0.65 LCK (0.42) CES2CES1LCKFYNDAO
SCHEMBL2166279 0.65 LCK (0.42) CES2CES1LCKFYNDAO
SCHEMBL2169050 0.65 LCK (0.42) CES2CES1LCKFYNDAO
SCHEMBL13430194 0.62 CES2 (0.33) CES2CES1LCKFYNDAO
SCHEMBL5946070 0.54
SCHEMBL12402350 0.53
SCHEMBL2166098 0.53 CES2 (0.71) CES2CES1LCKFYNDAO

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
WO-2010034827-A1 METHYLENE FURANONE DERIVATIVES AND USE OF SAID DERIVATIVES AS A PHOTOPROTECTING OR ANTIOXIDANT OR DEPIGMENTATION AGENT IN COSMETIC OR DERMATOLOGICAL COMPOSITIONS PIERRE FABRE DERMO-COSMETIQUE (FR) 2010-04-01 WO disclosed