SCHEMBL28154993

SCHEMBL28154993

C=C(C)C(N)=O.C=CC(=O)OCCCN(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.50
ALDH1A1 P00352 5/20 0.50
CYP3A4 P08684 1/20 0.50
HPGD P15428 1/20 0.50
TP53 P04637 2/20 0.42
HIF1A Q16665 2/20 0.42
HSD17B10 Q99714 2/20 0.42
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
GAA P10253 1/20 0.37
THRB P10828 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MAPK1 P28482 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRNB2 P17787 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
SCHEMBL7516575 0.90 TSHR (0.44) TSHRALDH1A1CYP3A4HPGDTP53
Methacrylic Acid SCHEMBL11795243 0.89 TSHR (0.52) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL21190 0.88 TSHR (0.63) TSHRALDH1A1CYP3A4HPGDTP53
Acetic Acid SCHEMBL10361603 0.87 TSHR (0.57) TSHRALDH1A1CYP3A4HPGDTP53
Iodide SCHEMBL1254828 0.87 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
Ammonia Solution, Strong SCHEMBL28757035 0.87 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
Fluoride SCHEMBL1254121 0.87 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
Bromide SCHEMBL1252833 0.87 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
Hydrochloric Acid SCHEMBL1254882 0.87 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL1253993 0.85 TSHR (0.59) TSHRALDH1A1CYP3A4HPGDTP53

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-103781892-B Improvements relating to polymers, deposition aids, targeted benefit agents and matrix treatment compositions 荷兰联合利华有限公司 2018-08-07 CN disclosed
CN-103748203-B Improvements relating to targeted benefit agents and substrate treatment compositions 荷兰联合利华有限公司 2017-06-23 CN disclosed