SCHEMBL6533898

SCHEMBL6533898

CCC(=O)Oc1cccc(C#CCN2CCSc3ccccc32)c1Nc1ccccc1C(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
GFER P55789 1/20 0.41
MAPT P10636 9/20 0.37
TP53 P04637 4/20 0.36
POLB P06746 1/20 0.35
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
THRB P10828 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL6508934 0.80 KMT2A (0.33) ALDH1A1MAPK1MAPTHDAC6MEN1
SCHEMBL6530164 0.76 PPARG (0.34) ALDH1A1MAPTTP53POLBKMT2A
SCHEMBL6533895 0.71 PPARG (0.50)
SCHEMBL6528870 0.71 NOTUM (0.39) ALDH1A1MAPTTP53POLBKDM4E
SCHEMBL6527238 0.70 NPSR1 (0.45) ALDH1A1LMNAMAPK1MAPTPOLB
SCHEMBL6528744 0.69 THRB (0.36) ALDH1A1LMNAMAPTTP53POLB
SCHEMBL6530940 0.64 KMT2A (0.39) ALDH1A1LMNAMAPTTP53POLB
SCHEMBL6509824 0.64 CYP4F2 (0.34) ALDH1A1POLBMEN1KMT2AGAA
SCHEMBL6675390 0.64 ALDH1A1 (0.46) ALDH1A1LMNAMAPK1GFERMAPT
SCHEMBL1683548 0.63 ELANE (0.62) ALDH1A1LMNAMAPK1MAPTKDM4E

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-2005056536-A1 ANTIDIABETIC AGENTS WHICH EXHIBIT ACTIVITY AGAINST PPAR RANBAXY LABORATORIES LIMITED (IN) 2005-06-23 WO claimed