SCHEMBL11798120

SCHEMBL11798120

CCOc1ccccc1OC(C)OCCC#N

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 8/20 0.41
MAPT P10636 4/20 0.41
NPSR1 Q6W5P4 2/20 0.41
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 3/20 0.38
GLA P06280 1/20 0.37
ALOX15 P16050 2/20 0.36
HTR1A P08908 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
BRCA1 P38398 1/20 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
SCHEMBL8218163 0.81 ADRA2A (0.48) L3MBTL1MAPTNPSR1ADRA2AADRA2B
SCHEMBL5391786 0.80 L3MBTL1 (0.44) L3MBTL1MAPTNPSR1ADRA2AADRA2B
SCHEMBL4922389 0.79 ALDH1A1 (0.52) L3MBTL1MAPTNPSR1ADRA2AADRA2B
SCHEMBL11322784 0.76 KDM4E (0.36) ALDH1A1LMNAKDM4E
SCHEMBL11798135 0.76 ADRA2A (0.42) L3MBTL1MAPTNPSR1ADRA2AADRA2B
SCHEMBL31360667 0.76 ADRA2A (0.49) L3MBTL1MAPTNPSR1ADRA2AADRA2B
SCHEMBL28331350 0.76 ADRA2A (0.49) L3MBTL1MAPTNPSR1ADRA2AADRA2B
SCHEMBL11798125 0.75 L3MBTL1 (0.56) L3MBTL1MAPTNPSR1TDP1CYP1A2
SCHEMBL8034215 0.73 ADRA2A (0.40) L3MBTL1MAPTNPSR1ADRA2AADRA2B
SCHEMBL23906795 0.73 LMNA (0.48) L3MBTL1MAPTNPSR1ADRA2AADRA2B

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-3936477-A Blue anthraquinoid disperse dyes, their production and use BASF AKTIENGESELLSCHAFT (DT) 1976-02-03 US disclosed