SCHEMBL7463345

SCHEMBL7463345

CCOC(=O)c1nc(-c2ccc(C)cc2)sc1CCC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 5/20 0.47
EPHX2 P34913 1/20 0.41
TARBP2 Q15633 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
ALOX5 P09917 1/20 0.39
MAPT P10636 4/20 0.39
PKM P14618 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP19A1 P11511 1/20 0.38
CDC7 O00311 2/20 0.38
DBF4 Q9UBU7 2/20 0.38
RARA P10276 1/20 0.38
RARB P10826 1/20 0.38
RARG P13631 1/20 0.38
TP53 P04637 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
SCHEMBL7083639 0.84 P2RX7 (0.39) L3MBTL1ALOX5KMT2A
SCHEMBL13437332 0.74 TRPM8 (0.56) TRPM8TARBP2L3MBTL1MAPTPKM
SCHEMBL6163818 0.71 ALOX5 (0.44) ALOX5TP53
SCHEMBL6159594 0.71 KDM4E (0.41) TP53
SCHEMBL12049696 0.71 L3MBTL1 (0.58) TRPM8L3MBTL1ALOX5MAPTMEN1
SCHEMBL7085522 0.71 P2RX7 (0.41)
SCHEMBL6160009 0.70 PPARG (0.43)
SCHEMBL27931296 0.70 L3MBTL1 (0.60) TRPM8TARBP2L3MBTL1ALOX5MAPT
SCHEMBL2511672 0.69 L3MBTL1 (0.53) TRPM8TARBP2L3MBTL1ALOX5MAPT
SCHEMBL6160315 0.69

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
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