SCHEMBL4779871

SCHEMBL4779871

CCOC(=O)C(Cc1ccccc1)C(=O)CCCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.59
ALOX5 P09917 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
NPY1R P25929 1/20 0.49
NPY2R P49146 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
HDAC3 O15379 3/20 0.47
HDAC4 P56524 3/20 0.47
HDAC1 Q13547 3/20 0.47
HDAC7 Q8WUI4 3/20 0.47
HDAC2 Q92769 3/20 0.47
HDAC10 Q969S8 3/20 0.47
HDAC11 Q96DB2 3/20 0.47
HDAC8 Q9BY41 3/20 0.47
HDAC6 Q9UBN7 3/20 0.47
HDAC9 Q9UKV0 3/20 0.47
HDAC5 Q9UQL6 3/20 0.47
MAPK1 P28482 1/20 0.47
ADRA1A P35348 1/20 0.47

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
SCHEMBL1522685 0.87 MMP8 (0.64) MMP8ALDH1A1TP53NPY1RNPY2R
SCHEMBL4780409 0.86 MMP8 (0.48) MMP8ALOX5SMN1; SMN2HDAC3HDAC4
SCHEMBL4778301 0.84 LMNA (0.50) MMP8ALOX5SMN1; SMN2HDAC3HDAC4
SCHEMBL4779783 0.84 TDP1 (0.49) MMP8ALOX5SMN1; SMN2HDAC3HDAC4
SCHEMBL165382 0.83 MMP8 (0.76) MMP8ALDH1A1TP53NPY1RNPY2R
SCHEMBL3467791 0.83 LDHA (0.55) MMP8ALOX5ALDH1A1TP53MAPT
SCHEMBL4780672 0.82 ALOX5 (0.52) ALOX5SMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL17203012 0.82 MMP8 (0.66) MMP8ALDH1A1TP53NPY1RNPY2R
SCHEMBL7060674 0.82 TDP1 (0.49) MMP8ALOX5SMN1; SMN2HDAC3HDAC4
SCHEMBL467987 0.81 MMP8 (0.73) MMP8ALDH1A1TP53NPY1RNPY2R

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
WO-2008009963-A2 PYRIMIDINE DERIVATIVES AS MODULATORS OF PARATHYROID HORMONE RECEPTORS JAMES BLACK FOUNDATION LIMITED (GB) 2008-01-24 WO disclosed