SCHEMBL9768610

SCHEMBL9768610

CC(C)C(c1ccccc1)C(C)C#CN

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 3/20 0.42
TAAR1 Q96RJ0 3/20 0.41
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38
LMNA P02545 1/20 0.38
HIF1A Q16665 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.36
DPP4 P27487 2/20 0.36
F2 P00734 1/20 0.36
MIF P14174 2/20 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
SCHEMBL6014617 0.78 TAAR1 (0.44) AOC3TAAR1ADRA2AADRA2CLMNA
SCHEMBL825973 0.77 AOC3 (0.50) AOC3TAAR1ADRA2AADRA2CLMNA
Hydrogen Peroxide SCHEMBL27283588 0.74 AOC3 (0.48) AOC3TAAR1ADRA2AADRA2CLMNA
SCHEMBL16233141 0.73 ADRA2A (0.54) AOC3TAAR1ADRA2AADRA2CLMNA
SCHEMBL3886956 0.70 AOC3 (0.45) AOC3TAAR1ADRA2AADRA2CLMNA
SCHEMBL9418952 0.70 AOC3 (0.41) AOC3TAAR1ADRA2AADRA2CLMNA
SCHEMBL10738648 0.70 TAAR1 (0.48) AOC3TAAR1ADRA2AADRA2CLMNA
SCHEMBL29160574 0.70 AOC3 (0.41) AOC3TAAR1ADRA2AADRA2CLMNA
SCHEMBL17084114 0.69 ADRA2C (0.48) AOC3TAAR1ADRA2AADRA2CLMNA
SCHEMBL8094329 0.69 AOC3 (0.43) AOC3TAAR1ADRA2AADRA2CLMNA

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
JP-3005421-A None JP disclosed
JP-H035421-A ADMINISTRATION OF DEPRENYL MEDICINE SO AS TO REDUCE DANGER OF SIDE EFFECT DONALD A BAISUKE 1991-01-11 JP disclosed