SCHEMBL7090979

SCHEMBL7090979

CCCc1cc(-c2ccccc2)ccc1CCOC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.40
DCLRE1A Q6PJP8 1/20 0.40
DCLRE1B Q9H816 1/20 0.40
PTGER4 P35408 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HPGD P15428 1/20 0.40
ALOX5 P09917 1/20 0.38
MAPT P10636 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38

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
SCHEMBL29068251 0.83 SMN1; SMN2 (0.42) DCLRE1ADCLRE1BSMN1; SMN2L3MBTL1HPGD
SCHEMBL7092606 0.82 PTGER4 (0.44) MGLLDCLRE1ADCLRE1BPTGER4SMN1; SMN2
SCHEMBL7096241 0.81 ESR2 (0.46) MGLLDCLRE1ADCLRE1BPTGER4SMN1; SMN2
SCHEMBL455218 0.80 DCLRE1A (0.42) DCLRE1ADCLRE1BSMN1; SMN2L3MBTL1HPGD
Biphenyl SCHEMBL17473096 0.76 LMNA (0.60) SMN1; SMN2L3MBTL1HPGDALOX5MAPT
SCHEMBL7578265 0.75 ALOX5 (0.48) ALOX5PPARGPPARA
SCHEMBL19804046 0.75 TDP1 (0.37) MGLLDCLRE1ADCLRE1BPTGER4MAPT
SCHEMBL7019419 0.74 DCLRE1B (0.66) DCLRE1ADCLRE1BMCL1
SCHEMBL19804031 0.73 THRB (0.38) MGLLDCLRE1ADCLRE1BPTGER4SMN1; SMN2
SCHEMBL19804384 0.73 CA1 (0.39) MGLLDCLRE1ADCLRE1BPTGER4MAPT

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-0970059-B1 DISUBSTITUTED BIPHENYLOXAZOLINES BAYER CROPSCIENCE AG (DE) 2003-08-20 EP disclosed
EP-0970059-A1 DISUBSTITUTED BIPHENYLOXAZOLINES BAYER AG (DE) 2000-01-12 EP disclosed
WO-1998039310-A1 DISUBSTITUTED BIPHENYLOXAZOLINES BAYER AKTIENGESELLSCHAFT (DE) 1998-09-11 WO disclosed