SCHEMBL28294298

SCHEMBL28294298

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

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.47
ALDH1A1 P00352 4/20 0.47
TP53 P04637 3/20 0.47
HIF1A Q16665 3/20 0.47
CYP3A4 P08684 2/20 0.47
HSD17B10 Q99714 1/20 0.47
HPGD P15428 1/20 0.43
THRB P10828 2/20 0.37
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL124929 0.94 TSHR (0.52) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL23633199 0.94 TSHR (0.52) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL29547475 0.93 TSHR (0.55) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL21409480 0.93 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
Formic Acid SCHEMBL28861141 0.89 TSHR (0.47) TSHRALDH1A1TP53HIF1ACYP3A4
Acrylic Acid SCHEMBL28441854 0.89 TSHR (0.47) TSHRALDH1A1TP53HIF1ACYP3A4
Isobutane SCHEMBL28175359 0.88 TSHR (0.47) TSHRALDH1A1TP53HIF1ACYP3A4
Phosphoric Acid SCHEMBL27872865 0.88 TSHR (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28223119 0.88 TSHR (0.46) TSHRALDH1A1TP53HIF1ACYP3A4
Acrylic Acid Ethyl Ester SCHEMBL29220917 0.86 TSHR (0.49) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109609070-A Display adhesive, optical component, touch panel, liquid crystal sealing agent or encapsulant and liquid crystal display 日本化药株式会社 2019-04-12 CN disclosed