SCHEMBL28097871

SCHEMBL28097871

CCOC(C)c1ccccc1C#CC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.37
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 4/20 0.34
GLA P06280 1/20 0.34
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
ACACB O00763 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL5629534 0.81 MGLL (0.37) FFAR1GLAALDH1A1
SCHEMBL2747002 0.80 CYSLTR2 (0.39) FFAR1CYSLTR2CYSLTR1MEN1NPC1
SCHEMBL5655052 0.76 MGLL (0.33) FFAR1GLAALDH1A1
SCHEMBL12469659 0.75 L3MBTL1 (0.53) MEN1KMT2AL3MBTL1GLACYP2C19
SCHEMBL6469723 0.73 ALDH1A1 (0.44) MEN1NPC1KMT2APOLBHTT
SCHEMBL10020555 0.72 L3MBTL1 (0.66) MEN1KMT2AL3MBTL1GLAPOLB
SCHEMBL30772315 0.71 HSP90AA1 (0.48) FFAR1MEN1NPC1KMT2AL3MBTL1
SCHEMBL5814653 0.71 FFAR1 (0.53) FFAR1L3MBTL1CYP3A4CYP2C19NPSR1
SCHEMBL14383978 0.71 MGLL (0.33) GLACYP3A4CYP2C19CYP2C9ALDH1A1
SCHEMBL731381 0.69 TSHR (0.42) MEN1NPC1KMT2AL3MBTL1CYP3A4

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
CN-106065012-A Glyoxaline compound 广东众生药业股份有限公司 2016-11-02 CN disclosed