SCHEMBL28814049

SCHEMBL28814049

CN(CCc1ccccc1)CC(C)(C)C=O

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.49
TAAR1 Q96RJ0 1/20 0.48
FDPS P14324 1/20 0.47
AOC3 Q16853 1/20 0.46
ALDH1A1 P00352 1/20 0.42
TMEM97 Q5BJF2 1/20 0.40

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
SCHEMBL340999 0.83 CARM1 (0.46) SIGMAR1AOC3ALDH1A1TMEM97
SCHEMBL22431711 0.82 CHRNA7 (0.56) FDPS
SCHEMBL9278404 0.80 TAAR1 (0.57) SIGMAR1TAAR1FDPSAOC3
SCHEMBL8604793 0.78 HRH1 (0.51) SIGMAR1ALDH1A1
SCHEMBL13428484 0.77 AOC3 (0.55) SIGMAR1TAAR1FDPSAOC3
Demelverine SCHEMBL1516521 0.75 SIGMAR1 (0.76) SIGMAR1TAAR1FDPSAOC3
SCHEMBL27870822 0.74 MEN1 (0.42) SIGMAR1TAAR1AOC3ALDH1A1
SCHEMBL9768687 0.73 SIGMAR1 (0.73) SIGMAR1TAAR1FDPSAOC3
SCHEMBL20804036 0.73 SIGMAR1 (0.49) SIGMAR1TAAR1FDPSAOC3
SCHEMBL19971105 0.72 SIGMAR1 (0.45) SIGMAR1FDPS

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-103930462-A Hardeners for epoxy resin coatings SIKA TECHNOLOGY AG 2014-07-16 CN disclosed