SCHEMBL1039741

SCHEMBL1039741

CC(=CO)C(=O)OCCOCCO

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
TSHR P16473 6/20 0.41
ALDH1A1 P00352 4/20 0.41
THRB P10828 2/20 0.40
MAPK1 P28482 1/20 0.39
TP53 P04637 2/20 0.36
HIF1A Q16665 2/20 0.36
HSD17B10 Q99714 1/20 0.36
HTT P42858 1/20 0.35
MAPT P10636 1/20 0.35
EPHX2 P34913 1/20 0.33
CHRM5 P08912 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 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
SCHEMBL1035521 1.00 MEN1 (0.42) MEN1KMT2ATSHRALDH1A1THRB
SCHEMBL1034843 1.00 MEN1 (0.42) MEN1KMT2ATSHRALDH1A1THRB
SCHEMBL9064397 0.88 TSHR (0.41) TSHRALDH1A1THRBCHRM5CHRM1
SCHEMBL20994131 0.86 MEN1 (0.44) MEN1KMT2ATSHRALDH1A1THRB
SCHEMBL20994135 0.86 MEN1 (0.44) MEN1KMT2ATSHRALDH1A1THRB
SCHEMBL20994134 0.86 MEN1 (0.44) MEN1KMT2ATSHRALDH1A1THRB
SCHEMBL2809299 0.86 MEN1 (0.44) MEN1KMT2ATSHRALDH1A1THRB
SCHEMBL21081977 0.86 MEN1 (0.44) MEN1KMT2ATSHRALDH1A1THRB
SCHEMBL20994136 0.86 MEN1 (0.44) MEN1KMT2ATSHRALDH1A1THRB
SCHEMBL21081954 0.86 MEN1 (0.44) MEN1KMT2ATSHRALDH1A1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029630-B1 LOW STRESS DENTAL COMPOSITE CONTAINING PHOTOPOLYMERIZABLE AND PHOTOCLEAVABLE RESIN DENTSPLY INT INC (US) 2011-01-26 EP claimed