SCHEMBL7516575

SCHEMBL7516575

C=C(C)C(N)=O.C=CC(=O)OCCN(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.44
HPGD P15428 1/20 0.44
ALDH1A1 P00352 5/20 0.44
TP53 P04637 3/20 0.44
HIF1A Q16665 3/20 0.44
CYP3A4 P08684 3/20 0.44
HSD17B10 Q99714 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRM3 P20309 1/20 0.43
CHRNA4 P43681 1/20 0.43
TDP1 Q9NUW8 1/20 0.40
THRB P10828 2/20 0.38
PHLPP2 Q6ZVD8 1/20 0.37
DNM1 Q05193 1/20 0.36
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34

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
SCHEMBL28154993 0.90 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
Methacrylic Acid SCHEMBL28018497 0.89 TSHR (0.43) TSHRHPGDALDH1A1TP53HIF1A
Methacrylic Acid SCHEMBL4594665 0.88 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
Acrylamide SCHEMBL29206039 0.88 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
Acrylamide SCHEMBL132602 0.88 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
Methylamine SCHEMBL27382684 0.88 TSHR (0.52) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL15115 0.88 TSHR (0.56) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL1538397 0.87 TSHR (0.44) TSHRHPGDALDH1A1TP53HIF1A
Acrylamide SCHEMBL11030615 0.86 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
Methylamine SCHEMBL18250065 0.86 TSHR (0.50) 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
WO-2023222004-A1 FREE RADICAL SOLUTION POLYMERIZATION METHOD, POLYMER, AND USE 中国石油化工股份有限公司 2023-11-23 WO disclosed
US-20020061991-A1 Compounds useful for control agents for living-type free radical polymerization FREESLATE, INC. 2002-05-23 US disclosed