SCHEMBL5751079

SCHEMBL5751079

CCCCCCOCC1CC=CCC1C

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 2/20 0.34
CES2 O00748 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
EPHX2 P34913 1/20 0.34
BLM P54132 1/20 0.34
GBA1 P04062 1/20 0.34
USP2 O75604 1/20 0.33

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
SCHEMBL23181324 0.93 SMN1; SMN2 (0.44) ALDH1A1TDP1SMN1; SMN2TSHRUSP2
SCHEMBL17923805 0.78 ALDH1A1 (0.53) ALDH1A1TDP1SMN1; SMN2MEN1THRB
SCHEMBL19738341 0.74 SMN1; SMN2 (0.47) ALDH1A1TDP1SMN1; SMN2MEN1THRB
SCHEMBL19729179 0.72 ALDH1A1 (0.47) ALDH1A1TDP1SMN1; SMN2MEN1THRB
SCHEMBL130841 0.69 ALDH1A1 (0.61) ALDH1A1TDP1SMN1; SMN2MEN1THRB
SCHEMBL8434237 0.69 ALDH1A1 (0.61) ALDH1A1TDP1SMN1; SMN2MEN1THRB
SCHEMBL13923572 0.69 ALDH1A1 (0.61) ALDH1A1TDP1SMN1; SMN2MEN1THRB
SCHEMBL21828426 0.65 THRB (0.70) ALDH1A1TDP1MEN1THRBHTT
SCHEMBL21828421 0.65 THRB (0.70) ALDH1A1TDP1MEN1THRBHTT
SCHEMBL21044693 0.65 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