SCHEMBL9312196

SCHEMBL9312196

C=C(C)C(=O)OCCN(O)C(=O)CC

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.55
TSHR P16473 5/20 0.49
ALDH1A1 P00352 5/20 0.36
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
SOAT1 P35610 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
SCHEMBL13199066 0.82 THRB (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL11222543 0.78 THRB (0.53) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL14048635 0.77 THRB (0.52) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL746457 0.77 THRB (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL10597742 0.76 THRB (0.56) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL14874 0.76 THRB (0.55) THRBTSHRALDH1A1POLBLMNA
SCHEMBL10697522 0.76 THRB (0.55) THRBTSHRALDH1A1POLBAPEX1
Propane SCHEMBL6811290 0.76 THRB (0.55) THRBTSHRALDH1A1POLBAPEX1
SCHEMBL28273630 0.76 THRB (0.55) THRBTSHRALDH1A1POLBLMNA
SCHEMBL10598725 0.75 THRB (0.55) THRBTSHRALDH1A1POLBLMNA

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
US-5277739-A Applying a curable adhesive having (meth)acrylic acid esters with a formamide group BAYER AKTIENGESELLSCHAFT (DE) 1994-01-11 US disclosed