SCHEMBL6528870

SCHEMBL6528870

CCOC(=O)CCc1cccc(C#CCN2CCc3ccccc32)c1Nc1ccccc1C(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.39
ALDH1A1 P00352 4/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ITGA4 P13612 2/20 0.33
ITGB7 P26010 2/20 0.33
MAPT P10636 2/20 0.33
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
POLB P06746 2/20 0.33
CLCN2 P51788 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM6B O15054 1/20 0.32

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
SCHEMBL6528744 0.88 THRB (0.36) ALDH1A1GAAKMT2AMAPTCYP4F2
SCHEMBL6509824 0.83 CYP4F2 (0.34) ALDH1A1GAAMEN1KMT2AL3MBTL1
SCHEMBL6530940 0.83 KMT2A (0.39) ALDH1A1GAAMEN1KMT2AMAPT
SCHEMBL6527238 0.81 NPSR1 (0.45) ALDH1A1GAAL3MBTL1MAPTCYP4F2
SCHEMBL6528531 0.79 NOTUM (0.46) NOTUMALDH1A1GAAMEN1KMT2A
SCHEMBL6502389 0.77 ALDH1A1 (0.38) ALDH1A1GAAKMT2ACYP4F2CYP4A11
SCHEMBL6528869 0.72 PPARG (0.46)
SCHEMBL6528363 0.66 MAPT (0.38) NOTUMALDH1A1GAAKMT2AL3MBTL1
SCHEMBL22248030 0.65 NOTUM (0.66) NOTUMALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL6530164 0.63 PPARG (0.34) ALDH1A1KMT2AMAPTPOLBTDP1

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 disclosed