SCHEMBL16628800

SCHEMBL16628800

O=C1C=CC(=C(c2ccc(O)c(O)c2O)c2ccc(O)c(O)c2O)O1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SELL P14151 1/20 0.44
SELP P16109 1/20 0.44
HDAC1 Q13547 1/20 0.42
ATP1A1 P05023 1/20 0.36
ATP1B1 P05026 1/20 0.36
ATP1A3 P13637 1/20 0.36
ATP1B2 P14415 1/20 0.36
NUDT1 P36639 1/20 0.36
ATP1A2 P50993 1/20 0.36
ATP1B3 P54709 1/20 0.36
FXYD2 P54710 1/20 0.36
ATP1A4 Q13733 1/20 0.36
PIK3CA P42336 4/20 0.34
TERT O14746 1/20 0.33
KDM4E B2RXH2 4/20 0.32
MAPT P10636 4/20 0.32
ALOX15 P16050 4/20 0.32
HSD17B10 Q99714 4/20 0.32
RECQL P46063 3/20 0.32
ALDH1A1 P00352 3/20 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
SCHEMBL2166808 0.76 CES2 (0.47) KDM4EMAPTALOX15HSD17B10ALDH1A1
SCHEMBL2165459 0.72 CA12 (0.45) TERTKDM4EMAPTRECQLDBH
SCHEMBL2167670 0.71 KDM4E (0.41) SELLSELPHDAC1KDM4EMAPT
SCHEMBL2166768 0.67 MAPT (0.48) KDM4EMAPTALOX15HSD17B10RECQL
SCHEMBL2167651 0.67 CES2 (0.45) KDM4EMAPTALOX15HSD17B10ALDH1A1
SCHEMBL2166868 0.64 ALDH1A1 (0.37) KDM4EMAPTALOX15HSD17B10RECQL
SCHEMBL2166642 0.64 CA1 (0.38) KDM4EMAPTRECQLALDH1A1HPGD
SCHEMBL1063407 0.64 SELL (0.68) SELLSELPHDAC1PIK3CATERT
SCHEMBL77708 0.62 SELL (1.00) SELLSELPHDAC1PIK3CAKDM4E
SCHEMBL6858983 0.62 SELL (0.65) SELLSELPHDAC1PIK3CATERT

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