SCHEMBL6667514

SCHEMBL6667514

CN(Cc1ccc(Cl)cc1)C(=O)c1c[nH]c2ccc(CN3CC(O)(O)C3)cc2c1=O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GLA P06280 1/20 0.49
TP53 P04637 2/20 0.45
MAPT P10636 2/20 0.45
POLB P06746 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
THRB P10828 1/20 0.42
GABRA1 P14867 3/20 0.40
GABRB2 P47870 3/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CFTR P13569 1/20 0.39

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
SCHEMBL7845995 0.87 ALDH1A1 (0.49) GAAALDH1A1HPGDKDM4EGLA
SCHEMBL6673044 0.86 ALDH1A1 (0.61) GAAALDH1A1HPGDKDM4EGLA
SCHEMBL6670295 0.85 GAA (0.47) GAAALDH1A1HPGDKDM4EGLA
SCHEMBL6673045 0.83 ALDH1A1 (0.47) GAAALDH1A1HPGDKDM4EGLA
SCHEMBL7845846 0.83 GAA (0.51) GAAALDH1A1HPGDKDM4EGLA
SCHEMBL7834064 0.83 GAA (0.51) GAAALDH1A1HPGDKDM4EGLA
SCHEMBL7834749 0.80 GAA (0.48) GAAALDH1A1HPGDKDM4EGLA
SCHEMBL7843626 0.79 GAA (0.47) GAAALDH1A1HPGDKDM4EGLA
SCHEMBL7843694 0.77 GAA (0.46) GAAALDH1A1HPGDKDM4EGLA
SCHEMBL6668158 0.77 ALDH1A1 (0.54) GAAALDH1A1HPGDKDM4EGLA

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
WO-2004019932-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO claimed
WO-2004019932-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO disclosed