SCHEMBL5085445

SCHEMBL5085445

CCOC(C)c1cc(OC)ccc1C=CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.49
ATM Q13315 1/20 0.49
ALDH1A1 P00352 4/20 0.45
MAPT P10636 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PTGER4 P35408 1/20 0.44
PTGER3 P43115 1/20 0.44
PTGER2 P43116 1/20 0.44
GAA P10253 2/20 0.44
KDM4E B2RXH2 3/20 0.43
HDAC8 Q9BY41 1/20 0.43
PTGS2 P35354 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
LY96 Q9Y6Y9 1/20 0.42
BACE1 P56817 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42

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
SCHEMBL490255 1.00 THRB (0.49) THRBATMALDH1A1MAPTMEN1
SCHEMBL490211 0.84 THRB (0.53) THRBATMALDH1A1MAPTMEN1
SCHEMBL490210 0.84 THRB (0.53) THRBATMALDH1A1MAPTMEN1
SCHEMBL7119159 0.82 THRB (0.39) THRBATMALDH1A1MAPTMEN1
SCHEMBL9556877 0.81 THRB (0.40) THRBATMALDH1A1MAPTMEN1
SCHEMBL19183552 0.81 THRB (0.40) THRBATMALDH1A1MAPTMEN1
SCHEMBL16266990 0.80 THRB (0.51) THRBATMALDH1A1MAPTMEN1
SCHEMBL16266993 0.80 THRB (0.51) THRBATMALDH1A1MAPTMEN1
SCHEMBL8523376 0.79 THRB (0.43) THRBATMALDH1A1MAPTMEN1
SCHEMBL8523379 0.79 THRB (0.43) THRBATMALDH1A1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008079898-A1 METHODS AND TOPICAL FORMULATIONS COMPRISING COLLOIDAL METAL FOR TREATING OR PREVENTING SKIN CONDITIONS PHARMWEST, INC. (US) 2008-07-03 WO disclosed
EP-0359488-A2 A composition of matter NEUTROGENA CORPORATION (US) 1990-03-21 EP disclosed