SCHEMBL5750057

SCHEMBL5750057

CCCCCCCCOCC12C=CC(CC1)C2

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
EPHX2 P34913 2/20 0.32
SPHK2 Q9NRA0 1/20 0.31
SPHK1 Q9NYA1 1/20 0.31
CES2 O00748 1/20 0.31
GBA1 P04062 1/20 0.31
S1PR3 Q99500 1/20 0.31
CNR2 P34972 1/20 0.30
NR5A1 Q13285 1/20 0.30

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
SCHEMBL11181373 0.81 POLA1 (0.31)
SCHEMBL1011863 0.81 POLA1 (0.31)
SCHEMBL5898951 0.81 POLA1 (0.31)
SCHEMBL155172 0.77
SCHEMBL7793895 0.74 FAAH (0.35) ALDH1A1TDP1MEN1KMT2AMAPT
SCHEMBL7930116 0.69
SCHEMBL21044640 0.60 THRB (0.70) ALDH1A1TDP1MEN1THRBHTT
SCHEMBL21044659 0.60 THRB (0.70) ALDH1A1TDP1MEN1THRBHTT
SCHEMBL21044639 0.60 THRB (0.70) ALDH1A1TDP1MEN1THRBHTT
SCHEMBL21044664 0.60 THRB (0.70) ALDH1A1TDP1MEN1THRBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7018559-B2 Functional fluid compositions containing epoxide acid scavengers SOLUTIA INC. (US) 2006-03-28 US disclosed
EP-1285050-A2 FUNCTIONAL FLUID COMPOSITIONS CONTAINING EPOXIDE ACID SCAVENGERS Solutia Inc. (US) 2003-02-26 EP disclosed
US-20020033478-A1 Functional fluid compositions containing epoxide acid scavengers SOLUTIA INC. 2002-03-21 US disclosed
WO-2001085881-A2 FUNCTIONAL FLUID COMPOSITIONS CONTAINING EPOXIDE ACID SCAVENGERS SOLUTIA, INC. (US) 2001-11-15 WO disclosed