SCHEMBL9207159

SCHEMBL9207159

COc1ccc(/C=C/C(=O)OC2CC(C)(C)NC(C)(C)C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.55
F3 P13726 2/20 0.51
THRB P10828 1/20 0.50
ATM Q13315 1/20 0.50
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GSK3B P49841 2/20 0.49
HDAC3 O15379 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
GAA P10253 1/20 0.47
LMNA P02545 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
BACE1 P56817 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.45

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
SCHEMBL9207163 1.00 HTT (0.55) HTTF3THRBATMMAPT
SCHEMBL30713411 0.86 GAA (0.59) HTTF3MAPTMEN1KMT2A
SCHEMBL6948703 0.83 HTT (0.60) HTTF3THRBATMMAPT
SCHEMBL9211985 0.83 HTT (0.60) HTTF3THRBATMMAPT
SCHEMBL6948701 0.83 HTT (0.60) HTTF3THRBATMMAPT
SCHEMBL12590207 0.83 HTT (0.60) HTTF3THRBATMMAPT
SCHEMBL12888653 0.82 HTT (0.56) HTTF3THRBATMMAPT
SCHEMBL12608600 0.82 HTT (0.67) HTTF3THRBATMMAPT
SCHEMBL5648710 0.81 GAA (0.46) F3ATMMAPTGAAALDH1A1
SCHEMBL9213216 0.78 GAA (0.39) HTTATMMAPTMEN1KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0517103-B1 Piperidine derivatives, a process for the preparation thereof and the use thereof 3V SIGMA SPA (IT) 1995-03-01 EP claimed
EP-0517103-A1 Piperidine derivatives, a process for the preparation thereof and the use thereof 3V SIGMA S.p.A (IT) 1992-12-09 EP claimed