SCHEMBL28879180

SCHEMBL28879180

C=CC(=O)OCCC(O)N(C(C)(C)O)C(C)(C)O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 4/20 0.44
TP53 P04637 3/20 0.44
HIF1A Q16665 3/20 0.44
CYP3A4 P08684 2/20 0.44
HSD17B10 Q99714 1/20 0.44
THRB P10828 2/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32

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
SCHEMBL28879151 0.85 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL687248 0.81 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL11424258 0.78 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27800526 0.74 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL142522 0.74 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL27800524 0.74 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL6368712 0.74 TSHR (0.58) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL996461 0.74 TSHR (0.58) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL23494074 0.74 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
Trimethylammonium SCHEMBL28282564 0.72 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A

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