SCHEMBL5569902

SCHEMBL5569902

C=C(CCCOC)C(=O)O.C=C(CCCOCC)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
THRB P10828 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 4/20 0.35
HPGD P15428 3/20 0.35
TSHR P16473 3/20 0.34
EPHX2 P34913 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL4359174 0.93 THRB (0.40) ALDH1A1THRBSMN1; SMN2KDM4EHPGD
SCHEMBL33745 0.93 THRB (0.42) ALDH1A1THRBSMN1; SMN2KDM4ETSHR
SCHEMBL289015 0.89 THRB (0.44) ALDH1A1THRBSMN1; SMN2KDM4EHPGD
SCHEMBL7256040 0.89 THRB (0.44) ALDH1A1THRBSMN1; SMN2KDM4EHPGD
SCHEMBL33661 0.89 THRB (0.44) ALDH1A1THRBSMN1; SMN2KDM4EHPGD
SCHEMBL156151 0.89 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDTSHRMEN1
SCHEMBL522916 0.87 EPHX2 (0.42) ALDH1A1THRBSMN1; SMN2KDM4ETSHR
SCHEMBL16196269 0.86 THRB (0.38) ALDH1A1THRBSMN1; SMN2KDM4ETSHR
SCHEMBL1514966 0.85 ALDH1A1 (0.44) ALDH1A1THRBKDM4EHPGDTSHR
SCHEMBL16291891 0.85 EPHX2 (0.44) ALDH1A1THRBSMN1; SMN2TSHREPHX2

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
EP-1858965-A2 POLYMER COMPOUND FOR BIOMEDICAL USE AND BIOCHIP SUBSTRATE USING SUCH A POLYMER COMPOUND Sumitomo Bakelite Company, Limited (JP) 2007-11-28 EP disclosed
WO-2006101798-A2 POLYMER COMPOUND FOR BIOMEDICAL USE AND BIOCHIP SUBSTRATE USING SUCH A POLYMER COMPOUND SUMITOMO BAKELITE COMPANY LTD. (JP) 2006-09-28 WO disclosed