SCHEMBL1709421

SCHEMBL1709421

CCOC(=O)C[C@@H]1CC[C@@H](N(CC2CCCCC2)CC2CCCCC2)[C@H](c2ccc(F)c(F)c2)C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 5/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
KDM1A O60341 3/20 0.33
KDM4E B2RXH2 1/20 0.32
TSHR P16473 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
TP53 P04637 1/20 0.32
MDM2 Q00987 1/20 0.32
GPR88 Q9GZN0 1/20 0.32

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
SCHEMBL10032840 0.90 L3MBTL1 (0.37) L3MBTL1ALDH1A1TDP1MEN1GAA
SCHEMBL10033108 0.90 L3MBTL1 (0.37) L3MBTL1ALDH1A1TDP1MEN1GAA
SCHEMBL10033105 0.88 TDP1 (0.36) L3MBTL1ALDH1A1TDP1GPR88
SCHEMBL10032838 0.87 TP53 (0.40) L3MBTL1ALDH1A1TDP1MEN1GAA
SCHEMBL10033115 0.86 MDM2 (0.43) L3MBTL1TP53MDM2
SCHEMBL1709437 0.84 PTGES (0.37) TDP1KMT2ATP53
SCHEMBL1709416 0.81 KDM1A (0.44) L3MBTL1HDAC6KDM1ASIGMAR1
SCHEMBL10033179 0.78 ALDH1A1 (0.40) L3MBTL1ALDH1A1TDP1
SCHEMBL10033176 0.78 L3MBTL1 (0.41) L3MBTL1ALDH1A1TDP1MEN1GAA
SCHEMBL10032973 0.77 SIGMAR1 (0.38) TDP1MEN1KMT2ASIGMAR1TP53

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