SCHEMBL9476287

SCHEMBL9476287

CC(C)(CCl)C(=O)NCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTH P32929 1/20 0.40
EGLN1 Q9GZT9 2/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 2/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.38
PTGS2 P35354 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
APEX1 P27695 1/20 0.34
RIPK1 Q13546 1/20 0.34
ECE1 P42892 1/20 0.33
FPR2 P25090 1/20 0.33
PLA2G2A P14555 1/20 0.32
MME P08473 1/20 0.32
ACE P12821 1/20 0.32
CPA1 P15085 1/20 0.32
ACE2 Q9BYF1 1/20 0.32

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
SCHEMBL11940947 0.80 RIPK1 (0.52) CTHEGLN1LMNAALDH1A1MAPT
SCHEMBL22652306 0.78 CTH (0.40) CTHEGLN1LMNAALDH1A1MAPT
SCHEMBL31087129 0.78 ALDH1A1 (0.42) CTHEGLN1LMNAALDH1A1MAPT
SCHEMBL1650978 0.77 EGLN1 (0.44) CTHEGLN1LMNAALDH1A1MAPT
SCHEMBL7031804 0.76 HTT (0.40) LMNAHTTALDH1A1MAPTTDP1
SCHEMBL9775242 0.75 ALDH1A1 (0.44) CTHEGLN1LMNAALDH1A1MAPT
SCHEMBL8787301 0.75 EGLN1 (0.43) CTHEGLN1LMNAALDH1A1MAPT
Ammonia Solution, Strong SCHEMBL27685625 0.75 EGLN1 (0.43) CTHEGLN1LMNAALDH1A1MAPT
SCHEMBL7036071 0.74 CNR1 (0.44) LMNAHTTALDH1A1MAPTTDP1
SCHEMBL6852859 0.74 HTT (0.44) LMNAHTTALDH1A1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5266713-A Aryl alkenoic acid derivatives as leukotriene antagonists MILES INC. (US) 1993-11-30 US disclosed
EP-0410241-B1 Aryl alkenoic acid derivatives as leukotriene antagonists BAYER AG (DE) 1993-10-20 EP disclosed
EP-0410241-A1 Aryl alkenoic acid derivatives as leukotriene antagonists BAYER AG (DE) 1991-01-30 EP disclosed