SCHEMBL7966874

SCHEMBL7966874

CCOC(=O)C(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)OCC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 2/20 0.56
CYP3A4 P08684 2/20 0.51
CYP2C19 P33261 2/20 0.51
CYP2D6 P10635 1/20 0.51
MAPT P10636 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CYP2C9 P11712 1/20 0.51
LMNA P02545 2/20 0.50
TSHR P16473 1/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49

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
SCHEMBL2310025 0.81 LMNA (0.62) MMP8CYP3A4CYP2D6ALDH1A1LMNA
SCHEMBL7434604 0.79 CYP3A4 (0.53) MMP8CYP3A4CYP2C19CYP2D6MAPT
SCHEMBL1814609 0.79 MMP8 (0.58) MMP8CYP3A4CYP2C19CYP2D6MAPT
SCHEMBL5784044 0.77 SMN1; SMN2 (0.55) MMP8ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL11069749 0.77 MMP8 (0.55) MMP8MAPTLMNATSHRMEN1
SCHEMBL11443834 0.76 CYP3A4 (0.64) MMP8CYP3A4CYP2C19CYP2D6KDM4E
SCHEMBL21400347 0.76 POLB (0.62) LMNAHDAC3HDAC4HDAC1HDAC7
SCHEMBL7104115 0.76 MMP8 (0.56) MMP8CYP2C19ALDH1A1CYP2C9LMNA
SCHEMBL7104119 0.76 MMP8 (0.56) MMP8CYP2C19ALDH1A1CYP2C9LMNA
Toluene SCHEMBL28212958 0.75 LMNA (0.52) MMP8ALDH1A1LMNAMEN1KMT2A

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-2001002364-A1 NEW NPY ANTAGONISTS ASTRAZENECA AB (SE) 2001-01-11 WO disclosed