SCHEMBL10033116

SCHEMBL10033116

Bc1ccc([C@H](C)NC2CCCC(CC(=O)OCC)C2c2ccc(C)c(Cl)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ACACB O00763 2/20 0.33
DHODH Q02127 1/20 0.32
SLC6A3 Q01959 3/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
HPGD P15428 2/20 0.32
CXCR2 P25025 1/20 0.32
KCNK3 O14649 1/20 0.32
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
PARP14 Q460N5 1/20 0.30
P2RY12 Q9H244 1/20 0.30

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
SCHEMBL10033184 0.92 L3MBTL1 (0.35) L3MBTL1ALDH1A1GAAACACBHPGD
SCHEMBL10033180 0.91 SLC6A2 (0.34) L3MBTL1SLC6A3SLC6A2SLC6A4HPGD
SCHEMBL10033178 0.81 L3MBTL1 (0.39) L3MBTL1ALDH1A1MEN1KMT2ADHODH
SCHEMBL10033190 0.78 L3MBTL1 (0.33) L3MBTL1HPGDKCNK3PARP14
SCHEMBL10033131 0.76 ALDH1A1 (0.42) L3MBTL1ALDH1A1GAAMEN1KMT2A
SCHEMBL10032824 0.76 GRIA4 (0.40) MEN1KMT2A
SCHEMBL10033189 0.74 TACR1 (0.39) ALDH1A1
SCHEMBL10033185 0.72 RECQL (0.33) L3MBTL1ALDH1A1GAASLC6A3SLC6A2
SCHEMBL10033182 0.71 BRD4 (0.38) L3MBTL1ALDH1A1GAASLC6A3SLC6A2
SCHEMBL10032830 0.71 GRIA4 (0.41) L3MBTL1GAAMEN1KMT2A

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