SCHEMBL6160412

SCHEMBL6160412

CCOC(=O)c1nc(-c2ccccc2C)n(Cc2ccccc2)c1CCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
TSHR P16473 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TDP2 O95551 1/20 0.38
NSD2 O96028 1/20 0.38
PLCG1 P19174 1/20 0.38
PAX8 Q06710 1/20 0.38
EPHX2 P34913 1/20 0.37

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
SCHEMBL6160960 0.90 P2RX7 (0.36)
SCHEMBL6159838 0.86 PPARG (0.39)
SCHEMBL6164287 0.82 EPHX2 (0.34) ALDH1A1EPHX2
SCHEMBL6161248 0.80
SCHEMBL6330062 0.78 EPHX2 (0.37) L3MBTL1EPHX2
SCHEMBL6159862 0.77 POLB (0.35) ALDH1A1KDM4EHPGD
SCHEMBL6159867 0.77 POLB (0.35) ALDH1A1KDM4EHPGD
SCHEMBL7688989 0.76 KDM4E (0.34) ALDH1A1KDM4E
SCHEMBL7085195 0.76 P2RX7 (0.39)
SCHEMBL6157631 0.76

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