SCHEMBL28042819

SCHEMBL28042819

[CH2]CCC(C)(O)OC(=O)C=C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.35
ALDH1A1 P00352 4/20 0.34
TP53 P04637 3/20 0.34
HIF1A Q16665 3/20 0.34
CYP3A4 P08684 2/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.33
THRB P10828 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
SCHEMBL28073426 0.84 TSHR (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27502718 0.83 TSHR (0.38) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28125583 0.81 TSHR (0.48) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28345184 0.81 TSHR (0.48) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL8138225 0.79 TSHR (0.38) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL8138228 0.79 ALDH1A1 (0.45) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL466005 0.79 THRB (0.42) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27405129 0.78 TSHR (0.32) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL7924485 0.78 ALDH1A1 (0.44) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL30601951 0.76 ALDH1A1 (0.57) 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-105143307-B Active-energy-ray-curable resin, and gas barrier laminate comprising cured product of said resin 三菱瓦斯化学株式会社 2017-02-15 CN disclosed
CN-105143307-A Active-energy-ray-curable resin, and gas barrier laminate comprising cured product of said resin MITSUBISHI GAS CHEMICAL CO 2015-12-09 CN disclosed