SCHEMBL28457262

SCHEMBL28457262

C=CC(=O)ON(CCO)CCO

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.46
ALDH1A1 P00352 4/20 0.38
TP53 P04637 3/20 0.38
HIF1A Q16665 3/20 0.38
CYP3A4 P08684 2/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.37
HPGD P15428 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
SCHEMBL28434395 0.81 KEAP1 (0.32) TSHR
SCHEMBL9822402 0.80 TSHR (0.45) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28287478 0.78 TSHR (0.43) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL21412821 0.75 TSHR (0.50) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL2775308 0.74 TSHR (0.45) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL1257020 0.74 TSHR (0.40) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL28352656 0.74 ZDHHC20 (0.49) TSHRALDH1A1CYP3A4HPGD
SCHEMBL29113274 0.72 NFE2L2 (0.52) ALDH1A1HSD17B10
SCHEMBL22408759 0.72 MAPT (0.32) SMN1; SMN2
SCHEMBL20702833 0.72 MAPT (0.32) SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118344300-A Preparation method and application of diethanolamine acrylic acid ester fluorescent whitening anti-wrinkle integrated auxiliary agent 贺州学院 2024-07-16 CN claimed
CN-118344300-A Preparation method and application of diethanolamine acrylic acid ester fluorescent whitening anti-wrinkle integrated auxiliary agent 贺州学院 2024-07-16 CN disclosed
CN-118344300-A Preparation method and application of diethanolamine acrylic acid ester fluorescent whitening anti-wrinkle integrated auxiliary agent 贺州学院 2024-07-16 CN disclosed
CN-118344300-A Preparation method and application of diethanolamine acrylic acid ester fluorescent whitening anti-wrinkle integrated auxiliary agent 贺州学院 2024-07-16 CN disclosed
CN-111587099-A Urethral stent 奥林巴斯株式会社 2020-08-25 CN disclosed