SCHEMBL4435902

SCHEMBL4435902

CC(C)COC(=O)c1ccc(OCC(O)CO)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.54
TSHR P16473 1/20 0.54
LMNA P02545 2/20 0.54
MAPT P10636 2/20 0.54
POLB P06746 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ADRB2 P07550 4/20 0.50
ADRB1 P08588 4/20 0.50
ADRB3 P13945 4/20 0.50
ALDH1A1 P00352 3/20 0.50
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.49
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
ABCB1 P08183 1/20 0.46

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
SCHEMBL7988568 0.88 GAA (0.54) GAATSHRLMNAMAPTPOLB
SCHEMBL27929357 0.88 KMT2A (0.60) GAATSHRLMNAMAPTPOLB
SCHEMBL9369918 0.87 MAPT (0.62) GAATSHRLMNAMAPTPOLB
SCHEMBL28317169 0.83 LMNA (0.68) GAATSHRLMNAMAPTPOLB
SCHEMBL11460576 0.83 PLA2G4B (0.58) TSHRLMNAMAPTPOLBNPSR1
SCHEMBL948187 0.81 GAA (0.62) GAATSHRLMNAMAPTPOLB
SCHEMBL4983780 0.81 ADRB2 (0.55) MAPTADRB2ADRB1ADRB3ALDH1A1
SCHEMBL110051 0.80 ALDH1A1 (0.64) TSHRMAPTADRB2ADRB1ADRB3
SCHEMBL2179812 0.80 ADRB2 (0.69) MAPTADRB2ADRB1ADRB3ALDH1A1
SCHEMBL2179816 0.80 ADRB2 (0.69) MAPTADRB2ADRB1ADRB3ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3389620-A1 STEM CELL STIMULATING COMPOSITIONS AND METHODS OF TREATING MELASMA Medicell Technologies, LLC (US) 2018-10-24 EP disclosed
WO-2017105413-A1 STEM CELL STIMULATING COMPOSITIONS AND METHODS OF TREATING MELASMA MEDICELL TECHNOLOGIES, LLC (US) 2017-06-22 WO disclosed
EP-1753387-A4 COFFEE CHERRY COSMETIC COMPOSITIONS AND METHODS VDF FUTURECEUTICALS INC (US) 2009-07-29 EP disclosed
EP-1753387-A2 COFFEE CHERRY COSMETIC COMPOSITIONS AND METHODS VDF Futureceuticals, Inc. (US) 2007-02-21 EP disclosed
WO-2005102373-A2 COFFEE CHERRY COSMETIC COMPOSITIONS AND METHODS VDF FUTURECEUTICALS, INC. (US) 2005-11-03 WO disclosed