SCHEMBL1709416

SCHEMBL1709416

CCOC(=O)C[C@@H]1CC[C@@H](NCC2CCCCC2)[C@H](c2ccc(F)c(F)c2)C1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 18/20 0.44
HDAC6 Q9UBN7 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
RCOR1 Q9UKL0 2/20 0.39
MAOB P27338 1/20 0.39
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL10033107 0.85 KDM1A (0.45) KDM1ARCOR1MAOB
SCHEMBL1709421 0.81 L3MBTL1 (0.38) KDM1AHDAC6L3MBTL1SIGMAR1
SCHEMBL10032974 0.77 SIGMAR1 (0.44) KDM1AHDAC6RCOR1MAOBSIGMAR1
SCHEMBL10033114 0.74 KDM1A (0.42) KDM1AL3MBTL1MAOB
SCHEMBL10032825 0.73 KDM1A (0.38) KDM1ARCOR1MAOBSIGMAR1
SCHEMBL1709353 0.72 MAOB (0.44) KDM1AMAOB
SCHEMBL1709384 0.71 SIGMAR1 (0.40) KDM1AHDAC6L3MBTL1SIGMAR1
SCHEMBL10033177 0.71 GRIA4 (0.38) KDM1AHDAC6SIGMAR1
SCHEMBL10033108 0.71 L3MBTL1 (0.37) HDAC6L3MBTL1
SCHEMBL10032840 0.71 L3MBTL1 (0.37) HDAC6L3MBTL1

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