SCHEMBL27480855

SCHEMBL27480855

C=CCOC(=O)C=C.C=COCCCl

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.42
ALDH1A1 P00352 4/20 0.42
TP53 P04637 3/20 0.42
HIF1A Q16665 3/20 0.42
CYP3A4 P08684 3/20 0.42
HSD17B10 Q99714 1/20 0.42
HPGD P15428 1/20 0.39
MAPT P10636 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
THRB P10828 2/20 0.33
APP P05067 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
SCHEMBL7154955 0.82
Acrylic Acid Ethyl Ester SCHEMBL10467352 0.82 TSHR (0.47) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL19273 0.80
SCHEMBL31267242 0.80 TSHR (0.54) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL5167665 0.80 TSHR (0.54) TSHRALDH1A1TP53HIF1ACYP3A4
Vinyl Chloride SCHEMBL875728 0.78 TSHR (0.48) TSHRALDH1A1TP53HIF1ACYP3A4
Chloromethane SCHEMBL28424741 0.78 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
Fluoride SCHEMBL2542918 0.78
Ethylene SCHEMBL461105 0.78 TSHR (0.52) TSHRALDH1A1TP53HIF1ACYP3A4
Formaldehyde SCHEMBL22631565 0.78 TSHR (0.52) TSHRALDH1A1TP53HIF1ACYP3A4

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
CN-1182884-C Syringe ������������ʽ���� 2005-01-05 CN disclosed
CN-1416356-A Syringe TOP KK (JP) 2003-05-07 CN disclosed