SCHEMBL28056594

SCHEMBL28056594

C=CCOC(=O)C=C.CC=C(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.41
HPGD P15428 1/20 0.40
MAPT P10636 1/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
ALDH1A1 P00352 6/20 0.39
TP53 P04637 3/20 0.39
HIF1A Q16665 3/20 0.39
CYP3A4 P08684 3/20 0.39
HSD17B10 Q99714 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 1/20 0.36
THRB P10828 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
APP P05067 1/20 0.33
GAA P10253 1/20 0.31
PKM P14618 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
Acetic Acid SCHEMBL460344 0.86 TSHR (0.48) TSHRHPGDMAPTCACNA1BAPBA1
Methacrylic Acid SCHEMBL316282 0.85 TSHR (0.44) TSHRHPGDMAPTCACNA1BAPBA1
SCHEMBL6920652 0.84 TSHR (0.41) TSHRHPGDMAPTCACNA1BAPBA1
Propene SCHEMBL27446435 0.84 TSHR (0.50) TSHRHPGDMAPTCACNA1BAPBA1
Methacrylic Acid SCHEMBL14362184 0.83 TSHR (0.42) TSHRHPGDMAPTCACNA1BAPBA1
Methacrylic Acid SCHEMBL459213 0.83 TSHR (0.42) TSHRHPGDMAPTCACNA1BAPBA1
Acrylic Acid Ethyl Ester SCHEMBL2431230 0.83 TSHR (0.46) TSHRHPGDMAPTALDH1A1TP53
SCHEMBL28263791 0.82 TSHR (0.48) TSHRHPGDMAPTCACNA1BAPBA1
Bicarbonate SCHEMBL1577827 0.82 TSHR (0.50) TSHRHPGDMAPTCACNA1BAPBA1
Methyl Alcohol SCHEMBL28080029 0.82 TSHR (0.52) TSHRHPGDMAPTCACNA1BAPBA1

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-102470566-B Adopt the method that anisotropic particle prepares decorative surface outward appearance in acrylic material 纳幕尔杜邦公司 2016-07-13 CN disclosed