SCHEMBL6159879

SCHEMBL6159879

Cc1cc(C)c(-c2nc(CCC34CC5CC(CC(C5)C3)C4)c(C(=O)OCc3ccccc3)n2C)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.40
EPHX2 P34913 4/20 0.39
JMJD6 Q6NYC1 1/20 0.36
PDE1C Q14123 2/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL6161308 0.86 EPHX2 (0.39) ALDH1A1KMT2AEPHX2PDE1C
SCHEMBL6160177 0.80 KMT2A (0.39) ALDH1A1KMT2AEPHX2
SCHEMBL6160137 0.78
SCHEMBL6158527 0.78 PPARG (0.39) KMT2AMEN1
SCHEMBL6158707 0.78
SCHEMBL6159791 0.74 EPHX2 (0.34) ALDH1A1KMT2AEPHX2MEN1HTT
SCHEMBL7688902 0.72 RAB9A (0.40)
SCHEMBL6160554 0.69 FKBP1A (0.39) ALDH1A1KMT2AEPHX2
SCHEMBL7080456 0.69
SCHEMBL6158738 0.69 EPHX2 (0.40) EPHX2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1178969-B1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS BLACK JAMES FOUNDATION (GB) 2005-07-13 EP disclosed
US-6479531-B1 Gastrin and cholecystokinin receptor ligands JAMES BLACK FOUNDATION LIMITED (GB) 2002-11-12 US disclosed
EP-1178969-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2002-02-13 EP disclosed
WO-2000027823-A1 GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2000-05-18 WO disclosed