SCHEMBL28099722

SCHEMBL28099722

C=CCOC(=O)C(C)CCl

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
TSHR P16473 3/20 0.43
CYP3A4 P08684 1/20 0.37
MAPT P10636 2/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
NPSR1 Q6W5P4 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
PKM P14618 1/20 0.33
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 1/20 0.33
GAA P10253 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 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
SCHEMBL7191532 0.84 TDP1 (0.45) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL7194323 0.82 TDP1 (0.50) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL1289265 0.81 TDP1 (0.44) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL9283778 0.81 TDP1 (0.44) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL11213886 0.81 TDP1 (0.44) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL13908443 0.79 TDP1 (0.43) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL14930703 0.79 TSHR (0.51) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL7760285 0.79 TDP1 (0.40) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL8909059 0.79 TSHR (0.51) TDP1TSHRCYP3A4MAPTCACNA1B
SCHEMBL464886 0.78

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105985493-B A kind of nonionic functionalization vinyl chloride-base polymer and preparation method thereof 黄山徽梦高分子科技有限公司 2018-08-28 CN disclosed
CN-105985494-B A kind of nonionic functionalization fluoropolymer and preparation method thereof 浙江大学 2018-05-15 CN disclosed
CN-105985495-B A kind of cationic functional fluoropolymer and preparation method thereof 浙江大学 2018-05-15 CN disclosed
CN-105985496-B A kind of anionic functional fluoropolymer and preparation method thereof 浙江大学 2018-05-15 CN disclosed
CN-105985491-B A kind of anionic functional esterified chloroethylene polymer and preparation method thereof 海南立昇净水科技实业有限公司 2018-05-08 CN disclosed
CN-105985492-B A kind of cationic functional esterified chloroethylene polymer and preparation method thereof 浙江大学 2018-03-20 CN disclosed
CN-105985493-A Nonionic functional vinyl chloride polymer and preparation method thereof 黄山徽梦高分子科技有限公司 2016-10-05 CN disclosed
CN-105985492-A Cationic functional vinyl chloride polymer and preparation method thereof 浙江大学 2016-10-05 CN disclosed
CN-105985491-A Anion functionalized vinyl chloride polymer and preparation method thereof 海南立昇净水科技实业有限公司 2016-10-05 CN disclosed