SCHEMBL28073618

SCHEMBL28073618

C=CC(=O)OOC.CCCCNC(=O)n1c(NC(=O)O)nc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.67
ALDH1A1 P00352 1/20 0.67
ASAH1 Q13510 7/20 0.49
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TP53 P04637 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
KDM4E B2RXH2 2/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MCHR1 Q99705 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.39
SAE1 Q9UBE0 1/20 0.38
UBA2 Q9UBT2 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
CNR2 P34972 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL28314136 0.94 TSHR (0.58) TSHRALDH1A1ASAH1MEN1KMT2A
SCHEMBL6926893 0.87 TSHR (0.79) TSHRALDH1A1ASAH1MEN1KMT2A
Benomyl SCHEMBL8379451 0.81 TSHR (1.00) TSHRALDH1A1ASAH1MEN1KMT2A
Benomyl SCHEMBL15681 0.81 TSHR (1.00) TSHRALDH1A1ASAH1MEN1KMT2A
Benomyl SCHEMBL29379464 0.81 TSHR (1.00) TSHRALDH1A1ASAH1MEN1KMT2A
SCHEMBL5570257 0.81 TSHR (0.67) TSHRALDH1A1ASAH1MEN1KMT2A
Benomyl SCHEMBL28721488 0.80 TSHR (0.94) TSHRALDH1A1ASAH1MEN1KMT2A
Benomyl SCHEMBL27841656 0.80 TSHR (0.94) TSHRALDH1A1ASAH1MEN1KMT2A
Benomyl SCHEMBL3962065 0.80 TSHR (0.98) TSHRALDH1A1ASAH1MEN1KMT2A
Benomyl SCHEMBL6912357 0.79 TSHR (0.92) TSHRALDH1A1ASAH1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107207546-A Ligand component, correlated response product, reaction product, the hydrosilylation catalysts comprising the ligand component and the hydrosilylation curable compositions of activation, and for preparing their correlation technique 美国道康宁公司 2017-09-26 CN disclosed
CN-103781850-B Zirconium-containing complex and condensation reaction catalyst, method for preparing the catalyst and composition comprising the catalyst 道康宁公司 2016-10-26 CN disclosed
CN-103781823-B Containing titanium complex and condensation catalyst, prepare the method for this catalyst and comprise the compositions of this catalyst 道康宁公司 2016-08-17 CN disclosed