SCHEMBL10033185

SCHEMBL10033185

CCOC(=O)CC1CCCC(N[C@@H](C)c2ccccc2)C1c1ccc(S(=O)#CO)cc1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.33
ALDH1A1 P00352 3/20 0.33
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
TP53 P04637 1/20 0.32
KCNK3 O14649 1/20 0.32
GAA P10253 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
ITGA4 P13612 1/20 0.31
ITGB7 P26010 1/20 0.31
KDM4E B2RXH2 2/20 0.31

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
SCHEMBL10033189 0.83 TACR1 (0.39) RECQLALDH1A1TSHRKDM4E
SCHEMBL10033178 0.81 L3MBTL1 (0.39) RECQLALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL10032824 0.80 GRIA4 (0.40) RECQLLMNA
SCHEMBL10033182 0.78 BRD4 (0.38) RECQLALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL10033188 0.76 MTOR (0.36) RECQLALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL10033175 0.73 ALDH1A1 (0.33) ALDH1A1
SCHEMBL10032830 0.73 GRIA4 (0.41) RECQLGAAL3MBTL1KDM4E
SCHEMBL10033116 0.72 L3MBTL1 (0.38) ALDH1A1HPGDSMN1; SMN2KCNK3GAA
SCHEMBL10033180 0.72 SLC6A2 (0.34) HPGDKCNK3L3MBTL1SLC6A2SLC6A4
SCHEMBL10033184 0.71 L3MBTL1 (0.35) ALDH1A1HPGDSMN1; SMN2LMNAKCNK3

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