SCHEMBL8627253

SCHEMBL8627253

C=C(C)C(=O)OCCNC.C=CC(=O)OCCNC

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 6/20 0.44
TP53 P04637 3/20 0.44
HIF1A Q16665 3/20 0.44
CYP3A4 P08684 2/20 0.44
HSD17B10 Q99714 1/20 0.44
THRB P10828 3/20 0.43
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 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
Acrylic Acid Methyl Ester SCHEMBL28170902 0.92 THRB (0.42) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL29023912 0.88 TSHR (0.45) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL110438 0.88
SCHEMBL108325 0.88 THRB (0.53) TSHRALDH1A1THRBSMN1; SMN2POLB
Hydrochloric Acid SCHEMBL1410288 0.86 THRB (0.52) TSHRALDH1A1THRBSMN1; SMN2POLB
Bromide SCHEMBL7209515 0.86 THRB (0.52) TSHRALDH1A1THRBSMN1; SMN2POLB
SCHEMBL700688 0.86 TSHR (0.59) TSHRHPGDALDH1A1TP53HIF1A
Ammonia Solution, Strong SCHEMBL8131325 0.86 THRB (0.52) TSHRALDH1A1THRBSMN1; SMN2POLB
Hydrochloric Acid SCHEMBL6053149 0.86 TSHR (0.54) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL19398187 0.85 TSHR (0.43) TSHRHPGDALDH1A1TP53HIF1A

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-0525585-B1 Olefin resin composition MITSUBISHI CHEM CORP (JP) 1998-06-03 EP disclosed