SCHEMBL9303811

SCHEMBL9303811

CC(C#CC(C)c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.44
TAAR1 Q96RJ0 4/20 0.44
ADRA2A P08913 1/20 0.42
ADRA2C P18825 1/20 0.42
CYP2D6 P10635 1/20 0.42
LMNA P02545 1/20 0.42
HIF1A Q16665 1/20 0.42
KDM4E B2RXH2 1/20 0.42
DPP4 P27487 2/20 0.41
F2 P00734 1/20 0.41
TSHR P16473 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CACNA2D1 P54289 1/20 0.39
CACNB2 Q08289 1/20 0.39
CACNA1C Q13936 1/20 0.39

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 0.87 TAAR1 (0.44) MIFTAAR1ADRA2AADRA2CLMNA
SCHEMBL26210808 0.87 MIF (0.40) MIFTAAR1ADRA2AADRA2CCYP2D6
SCHEMBL168226 0.85 ADRA2C (0.41) MIFTAAR1ADRA2AADRA2CCYP2D6
SCHEMBL6024979 0.85 TAAR1 (0.40) MIFTAAR1ADRA2AADRA2CCYP2D6
SCHEMBL1453760 0.85 MIF (0.39) MIFTAAR1ADRA2AADRA2CCYP2D6
SCHEMBL30172156 0.83 APP (0.48) MIFTAAR1LMNA
SCHEMBL2867417 0.82 MIF (0.44) MIFTAAR1ADRA2AADRA2CCYP2D6
SCHEMBL18245376 0.81 MIF (0.36) MIFTAAR1ADRA2AADRA2CCYP2D6
SCHEMBL8733281 0.80 MIF (0.43) MIFTAAR1ADRA2AADRA2CCYP2D6
SCHEMBL6014619 0.79 TAAR1 (0.48) TAAR1ADRA2AADRA2CLMNAHIF1A

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-5300735-A Interconnected multilayer boards and fabrication processes thereof HITACHI, LTD. (JP) 1994-04-05 US disclosed