SCHEMBL20427677

SCHEMBL20427677

CC(CC(C)(C)I)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.53
TAAR1 Q96RJ0 4/20 0.50
AOC3 Q16853 2/20 0.45
TRPA1 O75762 4/20 0.44
CACNA1F O60840 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
ADRA2B P18089 1/20 0.41
CHRM3 P20309 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
OPRK1 P41145 1/20 0.41
CACNA1D Q01668 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KCNH2 Q12809 1/20 0.41
CACNA1S Q13698 1/20 0.41
CACNA1C Q13936 1/20 0.41
SCN5A Q14524 1/20 0.41
SLC6A4 P31645 1/20 0.41
KDM4E B2RXH2 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
SCHEMBL5664123 0.82 RIPK1 (0.63) RIPK1TAAR1AOC3TRPA1CACNA1F
SCHEMBL18611041 0.81 TAAR1 (0.55) RIPK1TAAR1AOC3TRPA1CACNA1F
SCHEMBL15279301 0.79 ACHE (0.38) RIPK1AOC3ALDH1A1
SCHEMBL2418232 0.78 RIPK1 (0.53) RIPK1TAAR1AOC3TRPA1CACNA1F
SCHEMBL21322418 0.78 TAAR1 (0.56) RIPK1TAAR1AOC3TRPA1CACNA1F
SCHEMBL1019329 0.77 RIPK1 (0.52) RIPK1TAAR1AOC3TRPA1CACNA1F
SCHEMBL21688445 0.77 TAAR1 (0.54) RIPK1TAAR1AOC3TRPA1CACNA1F
SCHEMBL11362801 0.76 TAAR1 (0.52) RIPK1TAAR1AOC3TRPA1CACNA1F
SCHEMBL21216505 0.76 TAAR1 (0.52) RIPK1TAAR1AOC3TRPA1CACNA1F
SCHEMBL4601134 0.76 TAAR1 (0.52) RIPK1TAAR1AOC3TRPA1CACNA1F

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
US-10035869-B2 Copolymer, aqueous ink, and ink cartridge RICOH COMPANY, LTD. (JP) 2018-07-31 US disclosed