SCHEMBL10033115

SCHEMBL10033115

CCOC(=O)C[C@@H]1CC[C@@H](N(CC2CCCCC2)CC2CCCCC2)[C@H](c2cccc(Cl)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 16/20 0.43
TP53 P04637 13/20 0.43
EPHX2 P34913 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CACNA1B Q00975 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
SCHEMBL10033105 0.89 TDP1 (0.36) L3MBTL1
SCHEMBL10032838 0.88 TP53 (0.40) MDM2TP53L3MBTL1
SCHEMBL1709421 0.86 L3MBTL1 (0.38) MDM2TP53L3MBTL1
SCHEMBL10033176 0.83 L3MBTL1 (0.41) TP53L3MBTL1
SCHEMBL1709413 0.82 MDM2 (0.41) MDM2TP53EPHX2
SCHEMBL10033108 0.82 L3MBTL1 (0.37) L3MBTL1
SCHEMBL10032840 0.82 L3MBTL1 (0.37) L3MBTL1
SCHEMBL1709437 0.82 PTGES (0.37) TP53
SCHEMBL1709371 0.77 MEN1 (0.43) MDM2TP53
SCHEMBL10032827 0.74 GPR88 (0.42) TP53EPHX2L3MBTL1

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-2012046771-A1 CYCLOALKANE COMPOUND アステラス製薬株式会社 (JP) 2012-04-12 WO disclosed