SCHEMBL28981983

SCHEMBL28981983

C=C(C)C(=O)OCC.C=CN(CC)CC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.47
TSHR P16473 4/20 0.42
GLO1 Q04760 1/20 0.41
ALDH1A1 P00352 8/20 0.40
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPT P10636 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
Propene SCHEMBL20853733 0.82 THRB (0.55) THRBTSHRGLO1ALDH1A1NPSR1
SCHEMBL5831741 0.82 THRB (0.55) THRBTSHRGLO1ALDH1A1NPSR1
SCHEMBL27798356 0.82 THRB (0.55) THRBTSHRGLO1ALDH1A1NPSR1
Butadiene SCHEMBL2354922 0.82 THRB (0.55) THRBTSHRGLO1ALDH1A1NPSR1
SCHEMBL19409375 0.82 THRB (0.64) THRBTSHRGLO1ALDH1A1NPSR1
SCHEMBL15030 0.82
N,N-Dimethylethanaminium SCHEMBL447226 0.80 THRB (0.53) THRBTSHRGLO1ALDH1A1NPSR1
SCHEMBL4713738 0.80 THRB (0.53) THRBTSHRGLO1ALDH1A1NPSR1
Vinyl Chloride SCHEMBL8932767 0.80 THRB (0.53) THRBTSHRGLO1ALDH1A1NPSR1
SCHEMBL1476300 0.80 THRB (0.53) THRBTSHRGLO1ALDH1A1NPSR1

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
CN-115916695-A Carbon material dispersion liquid 大日精化工业株式会社 2023-04-04 CN disclosed