SCHEMBL19971104

SCHEMBL19971104

CC(CC(C)(C)C=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.48
TAAR1 Q96RJ0 3/20 0.45
AOC3 Q16853 2/20 0.41
TRPA1 O75762 4/20 0.40
CACNA1F O60840 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
ADRA2B P18089 1/20 0.38
CHRM3 P20309 1/20 0.38
ADRA1A P35348 1/20 0.38
HRH1 P35367 1/20 0.38
OPRK1 P41145 1/20 0.38
CACNA1D Q01668 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38
SCN5A Q14524 1/20 0.38
PTGES2 Q9H7Z7 1/20 0.36
DAO P14920 1/20 0.35

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
SCHEMBL20342293 1.00 RIPK1 (0.48) RIPK1TAAR1AOC3TRPA1CACNA1F
SCHEMBL2421671 0.90 GRIA4 (0.40) RIPK1TAAR1
SCHEMBL18575544 0.87 HDAC4 (0.38) RIPK1TAAR1CACNA1FCHRM2CHRM1
SCHEMBL5664123 0.77 RIPK1 (0.63) RIPK1TAAR1AOC3TRPA1CACNA1F
SCHEMBL20427677 0.74 RIPK1 (0.53) RIPK1TAAR1AOC3TRPA1CACNA1F
SCHEMBL21322418 0.74 TAAR1 (0.56) RIPK1TAAR1AOC3TRPA1CACNA1F
SCHEMBL28133086 0.74 RIPK1 (0.53) RIPK1TAAR1AOC3TRPA1CACNA1F
SCHEMBL2418232 0.74 RIPK1 (0.53) RIPK1TAAR1AOC3TRPA1CACNA1F
SCHEMBL21471659 0.73 RIPK1 (0.48) RIPK1TAAR1AOC3TRPA1CACNA1F
SCHEMBL585429 0.73 TRPA1 (0.48) RIPK1TAAR1AOC3TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107428941-B Amidino group-containing catalyst SIKA技术股份公司 2020-11-24 CN disclosed
CN-107735438-B Guanidino-containing catalysts SIKA技术股份公司 2020-06-09 CN disclosed
EP-3344678-A1 AMINE FOR LOW-EMISSION EPOXY RESIN COMPOSITIONS Sika Technology AG (CH) 2018-07-11 EP disclosed
EP-3294803-A1 CATALYST CONTAINING GUANIDINE GROUPS Sika Technology AG (CH) 2018-03-21 EP disclosed