SCHEMBL11314486

SCHEMBL11314486

C=CCOc1c(C#N)cccc1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 1/20 0.39
ESR2 Q92731 1/20 0.38
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SQOR Q9Y6N5 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
ALDH1A1 P00352 3/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
RCE1 Q9Y256 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
USP8 P40818 1/20 0.36
FFAR1 O14842 2/20 0.36
AKR1B1 P15121 1/20 0.36
MAOA P21397 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
SCHEMBL11425926 0.81 ADRA2A (0.41) KDM4EL3MBTL1SQORALDH1A1HPGD
SCHEMBL9478721 0.80 ESR2 (0.49) ESR2KDM4EL3MBTL1GABRG2GABRB3
SCHEMBL17329279 0.78 ADRA2A (0.46) KDM4EL3MBTL1ALDH1A1HPGDADRB2
SCHEMBL5611931 0.78 ADRB2 (0.47) PTPRCKDM4EL3MBTL1ALDH1A1GAA
SCHEMBL9469629 0.78 FFAR1 (0.50) PTPRCESR2KDM4ESQORALDH1A1
SCHEMBL9469373 0.77 SLC6A2 (0.48) ESR2GABRG2GABRB3GABRA5GABRA3
SCHEMBL5085747 0.77 ALDH1A1 (0.46) PTPRCKDM4EL3MBTL1ALDH1A1GAA
SCHEMBL4624647 0.77 HPGD (0.46) PTPRCL3MBTL1ALDH1A1GAAHPGD
SCHEMBL2395316 0.77 SQOR (0.46) KDM4EL3MBTL1SQORALDH1A1GAA
SCHEMBL9428743 0.75 ADRB2 (0.40) PTPRCKDM4EL3MBTL1ALDH1A1GAA

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
EP-0063447-A1 Thermally addressed smectic liquid crystal device MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1982-10-27 EP disclosed