SCHEMBL3388283

SCHEMBL3388283

COc1cc(C(=C2C=CC(=O)O2)c2cc(OC)c(O)c(OC)c2)cc(OC)c1O.COc1cc(C(=C2C=CC(=O)O2)c2ccc(O)c(OC)c2)ccc1O.O=C1C=CC(=C(c2ccc(O)c(O)c2)c2ccc(O)c(O)c2)O1.O=C1C=CC(=C(c2ccc(O)cc2)c2ccc(O)cc2)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
RAB9A P51151 1/20 0.43
HTT P42858 1/20 0.42
MAOB P27338 1/20 0.40
SYNJ2 O15056 1/20 0.40
PTPN7 P35236 1/20 0.39
DUSP3 P51452 1/20 0.39
HSD17B2 P37059 1/20 0.38
CAPN1 P07384 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CYP1A2 P05177 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HSP90AB1 P08238 1/20 0.37
BLM P54132 1/20 0.37
GAA P10253 2/20 0.37
MGAM O43451 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
SCHEMBL2314061 0.90 MEN1 (0.47) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL2166899 0.88 MEN1 (0.54) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL2166822 0.83 PKM (0.49) MEN1KMT2AHTTCYP1A2BLM
SCHEMBL2165459 0.78 CA12 (0.45) GAAPTGS2MAPTKDM4EPOLB
SCHEMBL2166342 0.77 TSHR (0.51) MEN1KMT2ACYP1A2GAAALDH1A1
SCHEMBL2166768 0.75 MAPT (0.48) MEN1KMT2ARAB9AHTTHSP90AA1
SCHEMBL12402403 0.73 ALOX15 (0.44) HTTCYP1A2ALDH1A1ALOX15
SCHEMBL2167245 0.72 TPMT (0.44) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL12402513 0.72 CYP2C9 (0.46) CYP1A2GAAALDH1A1MAPTHPGD
SCHEMBL12402517 0.69 TPMT (0.41) MEN1KMT2AHTTALDH1A1MAPT

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