SCHEMBL13619299

SCHEMBL13619299

COC(=O)c1ccc([C@H](C)NC(=O)c2cc3occc3n2Cc2ccc(Cl)cc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.68
SMN1; SMN2 Q16637 2/20 0.50
THRB P10828 2/20 0.50
ALDH1A1 P00352 3/20 0.49
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
TSHR P16473 1/20 0.46
TP53 P04637 2/20 0.45
PTGER4 P35408 1/20 0.43
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42

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
SCHEMBL12585307 0.91 MAPT (0.59) MAPTTP53PTGER4
SCHEMBL12584542 0.90 MAPT (0.54) MAPTSMN1; SMN2THRBALDH1A1POLB
SCHEMBL12583920 0.86 MAPT (0.72) MAPTSMN1; SMN2THRBALDH1A1POLB
SCHEMBL12583929 0.85 MAPT (0.73) MAPTSMN1; SMN2THRBALDH1A1POLB
SCHEMBL13619447 0.83 MAPT (0.68) MAPTSMN1; SMN2THRBALDH1A1POLB
SCHEMBL12900450 0.83 F10 (0.54) MAPTTP53
SCHEMBL12585763 0.81 PPARG (0.53) MAPTTP53PTGER4
SCHEMBL12584030 0.80 MAPT (0.43) MAPTSMN1; SMN2THRBALDH1A1HTT
SCHEMBL12948790 0.79 P2RX3 (0.46) MAPTPTGER4
SCHEMBL12584594 0.79 TP53 (0.45) MAPTSMN1; SMN2THRBALDH1A1HTT

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-2009139373-A1 AMIDE COMPOUND アステラス製薬株式会社 (JP) 2009-11-19 WO disclosed