SCHEMBL10033178

SCHEMBL10033178

CCOC(=O)CC1CCCC(N[C@@H](C)c2ccccc2)C1c1ccc(C)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
ITGA5 P08648 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33

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
SCHEMBL10032824 0.88 GRIA4 (0.40) MEN1KMT2ALMNARECQL
SCHEMBL10032830 0.85 GRIA4 (0.41) L3MBTL1MEN1KMT2ARECQL
SCHEMBL10033182 0.85 BRD4 (0.38) L3MBTL1LMNASMN1; SMN2RECQLSLC6A2
SCHEMBL10033189 0.85 TACR1 (0.39) RECQLALDH1A1TSHR
SCHEMBL10033188 0.84 MTOR (0.36) L3MBTL1LMNASMN1; SMN2RECQLALDH1A1
SCHEMBL10033180 0.83 SLC6A2 (0.34) L3MBTL1SLC6A2SLC6A4SLC6A3HPGD
SCHEMBL10033184 0.81 L3MBTL1 (0.35) L3MBTL1LMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL10033185 0.81 RECQL (0.33) L3MBTL1LMNASMN1; SMN2RECQLSLC6A2
SCHEMBL10033116 0.81 L3MBTL1 (0.38) L3MBTL1MEN1KMT2ASMN1; SMN2HTT
SCHEMBL10032829 0.80 FFAR1 (0.41) L3MBTL1SMN1; SMN2RECQLALDH1A1

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