SCHEMBL10033186

SCHEMBL10033186

COC(=O)C(C)(C)C1CCCC(N[C@@H](C)c2ccccc2)C1c1ccc(C(F)(F)F)cc1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 2/20 0.39
RECQL P46063 1/20 0.37
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CACNA1A O00555 1/20 0.36
CACNA2D1 P54289 1/20 0.36
CACNB1 Q02641 1/20 0.36
MTTP P55157 2/20 0.35
SMO Q99835 1/20 0.35
CASR P41180 2/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
TACR1 P25103 3/20 0.35
MDM2 Q00987 2/20 0.35
MEN1 O00255 1/20 0.35

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 0.77 TACR1 (0.39) TEAD1RECQLMTTPSMOTACR1
SCHEMBL10033110 0.77 MAPK1 (0.43) GAATACR1
SCHEMBL10033124 0.71 HSD11B1 (0.39) RECQLGAATACR1
SCHEMBL10032829 0.69 FFAR1 (0.41) RECQLGAAL3MBTL1TACR1
SCHEMBL5474484 0.67 GAA (0.67) RECQLGAAL3MBTL1CASRMEN1
SCHEMBL5474480 0.67 GAA (0.67) RECQLGAAL3MBTL1CASRMEN1
SCHEMBL2104997 0.67 GAA (0.58) RECQLGAAL3MBTL1CASRMEN1
SCHEMBL2104996 0.67 GAA (0.58) RECQLGAAL3MBTL1CASRMEN1
SCHEMBL10032830 0.66 GRIA4 (0.41) RECQLGAAL3MBTL1MEN1
SCHEMBL8706897 0.66 TACR1 (0.52) TACR1

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