SCHEMBL4600612

SCHEMBL4600612

CCOC(=O)C(=O)C(C)C(O)c1ccc(OCc2ccccc2)cc1.[LiH]

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.58
LMNA P02545 1/20 0.58
ALDH1A1 P00352 2/20 0.56
NR1H4 Q96RI1 1/20 0.56
ALOX5 P09917 2/20 0.50
NPY5R Q15761 1/20 0.49
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MAOB P27338 1/20 0.47
ADAM17 P78536 1/20 0.47
PRKCA P17252 1/20 0.46
PRKCD Q05655 1/20 0.46

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
SCHEMBL5884767 0.82 LTA4H (0.58) L3MBTL1LMNAALOX5NPY5RRAB9A
SCHEMBL7907782 0.81 NR1H4 (0.59) L3MBTL1LMNAALDH1A1NR1H4ALOX5
SCHEMBL7401422 0.79 LMNA (0.71) L3MBTL1LMNAALDH1A1NR1H4ALOX5
SCHEMBL5358921 0.79 LMNA (0.60) L3MBTL1LMNAALDH1A1NR1H4ALOX5
SCHEMBL2716599 0.78 LMNA (0.68) L3MBTL1LMNAALDH1A1NR1H4ALOX5
SCHEMBL6544287 0.78 MEN1 (0.47) L3MBTL1LMNAALDH1A1RAB9ASMN1; SMN2
SCHEMBL11606393 0.77 LMNA (0.66) L3MBTL1LMNAALOX5RAB9ASMN1; SMN2
SCHEMBL12191319 0.76 SMN1; SMN2 (0.46) L3MBTL1LMNAALDH1A1SMN1; SMN2
SCHEMBL232540 0.76 LMNA (0.59) L3MBTL1LMNAALDH1A1NR1H4ALOX5
SCHEMBL12616728 0.76 LMNA (0.55) L3MBTL1LMNAALDH1A1NR1H4ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1910331-A1 PYRAZOLE DERIVATIVES AS CBl MODULATORS AstraZeneca AB (SE) 2008-04-16 EP disclosed
WO-2007010217-A1 PYRAZOLE DERIVATIVES AS CBl MODULATORS ASTRAZENECA AB (SE) 2007-01-25 WO disclosed