SCHEMBL3341025

SCHEMBL3341025

CC(C)C1=NCCO1.[CH2]C(C)C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.38
ADRA2B P18089 2/20 0.38
ADRA2C P18825 2/20 0.38
GMNN O75496 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
HTR1A P08908 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
ADRA1A P35348 1/20 0.31
OPRK1 P41145 1/20 0.31
HIF1A Q16665 1/20 0.31
NISCH Q9Y2I1 1/20 0.31

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
SCHEMBL21351773 0.93 ADRA2A (0.41) ADRA2AADRA2BADRA2CGMNNCYP1A2
SCHEMBL152241 0.93
SCHEMBL4458237 0.84
Methacrylic Acid SCHEMBL6553304 0.79 ADRA2A (0.35) ADRA2AADRA2BADRA2CCYP3A4
SCHEMBL9847231 0.79
SCHEMBL466674 0.78 ADRA2A (0.41) ADRA2AADRA2BADRA2CGMNNCYP1A2
SCHEMBL29117852 0.78 KCNN4 (0.37) ADRA2AADRA2BADRA2CGMNNCYP1A2
SCHEMBL18069695 0.77 NOS3 (0.38) ADRA2AADRA2BADRA2C
SCHEMBL23070521 0.77 ADRA2A (0.36) ADRA2AADRA2BADRA2C
SCHEMBL14738172 0.74

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-20100159392-A1 PATTERNING PROCESS AND RESIST COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-06-24 US disclosed