SCHEMBL8622276

SCHEMBL8622276

CCCc1ccccc1OCc1ccccc1OC(=O)C(C)=NOC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.43
ABCB1 P08183 3/20 0.42
HTR1A P08908 1/20 0.40
ADRA2A P08913 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
NISCH Q9Y2I1 1/20 0.40
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
HIF1A Q16665 3/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36

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
SCHEMBL8622457 0.91 L3MBTL1 (0.40) ABCB1NISCHHIF1APTGDR2
SCHEMBL8620420 0.86 HIF1A (0.44) ABCB1HTR1AMTNR1AMTNR1BHIF1A
SCHEMBL8617222 0.85 CDK4 (0.44) PTGDR2
SCHEMBL8623908 0.84 HIF1A (0.46) HIF1A
SCHEMBL8622477 0.82 L3MBTL1 (0.46) HTR1AHIF1APTGDR2
SCHEMBL8618631 0.82 L3MBTL1 (0.40) NISCHHIF1A
SCHEMBL8622267 0.81 NISCH (0.41) NISCHHIF1A
SCHEMBL7830393 0.81 MTNR1A (0.40) THRATHRBMTNR1AMTNR1B
SCHEMBL7830390 0.81 MTNR1A (0.40) THRATHRBMTNR1AMTNR1B
SCHEMBL8621428 0.81 MAPT (0.45) HIF1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0658541-B1 PROCESS FOR PRODUCING CARBOXYLIC ACID DERIVATIVE SHIONOGI & CO (JP) 1998-05-20 EP disclosed
US-5510506-A Process for producing carboxylic acid derivatives SHIONOGI & CO., LTD. (JP) 1996-04-23 US disclosed
EP-0658541-A1 PROCESS FOR PRODUCING CARBOXYLIC ACID DERIVATIVE SHIONOGI & CO., LTD. (JP) 1995-06-21 EP disclosed