SCHEMBL28879151

SCHEMBL28879151

C=CC(=O)OCC(O)N(C(C)(C)O)C(C)(C)O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.52
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
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.37
THRB P10828 1/20 0.36

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
SCHEMBL28879180 0.85 TSHR (0.44) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL3251563 0.78 TSHR (0.59) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL8070296 0.75 TSHR (0.55) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL14405364 0.74 TSHR (0.59) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL27821519 0.73
SCHEMBL27800525 0.73
SCHEMBL33585 0.73
Trimethylammonium SCHEMBL28136956 0.72 TSHR (0.67) TSHRALDH1A1TP53HIF1ACYP3A4
Hydrochloric Acid SCHEMBL11226745 0.71 TSHR (0.72) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL29987278 0.71 TSHR (0.72) 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-115286280-B Cement reinforcing agent for cement mill and preparation method thereof 临沂鲁强增强剂有限公司 2023-05-23 CN disclosed
CN-115286280-A Cement reinforcing agent for cement mill and preparation method thereof 临沂鲁强增强剂有限公司 2022-11-04 CN disclosed