SCHEMBL30508441

SCHEMBL30508441

C=CC(=O)OCCN(C)CCOCCN(C)CCOCCN(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.55
ALDH1A1 P00352 5/20 0.55
TP53 P04637 3/20 0.55
HIF1A Q16665 3/20 0.55
HSD17B10 Q99714 1/20 0.55
HPGD P15428 1/20 0.46
CYP3A4 P08684 2/20 0.46
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRNB2 P17787 1/20 0.44
CHRM3 P20309 1/20 0.44
CHRNA4 P43681 1/20 0.44
THRB P10828 2/20 0.42
DNM1 Q05193 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39

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
SCHEMBL770900 0.89 ALDH1A1 (0.70) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL2794243 0.89 ALDH1A1 (0.70) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL9619897 0.89 TSHR (0.48) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL26944275 0.89 TSHR (0.70) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL5707610 0.89 TSHR (0.56) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL15115 0.89 TSHR (0.56) TSHRALDH1A1TP53HIF1AHSD17B10
Ethylene SCHEMBL8397415 0.87 TSHR (0.54) TSHRALDH1A1TP53HIF1AHSD17B10
Iodide SCHEMBL1254059 0.87 TSHR (0.54) TSHRALDH1A1TP53HIF1AHSD17B10
Fluoride SCHEMBL1255037 0.87 TSHR (0.54) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL28612529 0.87 TSHR (0.54) TSHRALDH1A1TP53HIF1AHSD17B10

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-116478575-A Light conversion ink composition, light conversion laminated substrate manufactured by using same, and light conversion pixel substrate 东友精细化工有限公司 2023-07-25 CN disclosed