SCHEMBL4190026

SCHEMBL4190026

CCCCCCCCCCCCCCCCOB(O)OCCCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.43
NR5A1 Q13285 1/20 0.42
LPAR3 Q9UBY5 6/20 0.41
LPAR2 Q9HBW0 5/20 0.41
LPAR1 Q92633 2/20 0.41
NAAA Q02083 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CES2 O00748 1/20 0.40
TSHR P16473 1/20 0.40
GBA1 P04062 1/20 0.40
EPHX1 P07099 1/20 0.39
LMNA P02545 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL31471669 0.97 THRB (0.44) THRBMEN1HTTKMT2AMAPT
SCHEMBL3889693 0.97 THRB (0.44) THRBMEN1HTTKMT2AMAPT
SCHEMBL18279953 0.97 THRB (0.44) THRBMEN1HTTKMT2AMAPT
SCHEMBL3648395 0.97 THRB (0.44) THRBMEN1HTTKMT2AMAPT
SCHEMBL28121 0.97 THRB (0.44) THRBMEN1HTTKMT2AMAPT
SCHEMBL1554117 0.97 THRB (0.44) THRBMEN1HTTKMT2AMAPT
SCHEMBL10632891 0.97 THRB (0.44) THRBMEN1HTTKMT2AMAPT
SCHEMBL4920757 0.97 THRB (0.44) THRBMEN1HTTKMT2AMAPT
SCHEMBL31510166 0.97 THRB (0.44) THRBMEN1HTTKMT2AMAPT
SCHEMBL28119 0.95 THRB (0.43) THRBMEN1HTTKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090069271-A1 WOOD TREATMENT STANIMIROFF IVAN LAURENCE 2009-03-12 US disclosed
EP-1945424-A1 WOOD TREATMENT Stanimiroff, Ivan Laurence (NZ) 2008-07-23 EP disclosed
WO-2007055601-A1 WOOD TREATMENT STANIMIROFF IVAN LAURENCE (NZ) 2007-05-18 WO disclosed