SCHEMBL8623812

SCHEMBL8623812

CS(=O)(=O)c1cc(C(=O)O)ccc1OC1CC(=O)N1CC(=O)NCCCCCCc1ccc(Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.39
TP53 P04637 3/20 0.39
MAPT P10636 3/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 4/20 0.38
ALDH1A1 P00352 1/20 0.38
HRH3 Q9Y5N1 2/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.35
ASAH1 Q13510 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
AKR1C3 P42330 1/20 0.34

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
SCHEMBL27498888 0.89 MAPT (0.47) L3MBTL1TP53MAPTHTTLMNA
SCHEMBL8553481 0.83 TRPV1 (0.42) L3MBTL1TP53MAPTHTTLMNA
SCHEMBL8621833 0.78 TRPV1 (0.41) L3MBTL1TP53MAPTHTTLMNA
SCHEMBL8592027 0.77 MAPT (0.40) L3MBTL1TP53MAPTHTTLMNA
SCHEMBL8553916 0.77 ADAMTS5 (0.48) L3MBTL1TP53MAPTHTTLMNA
SCHEMBL8442114 0.77 HRH3 (0.41) TP53MAPTHTTLMNAHRH3
SCHEMBL8551594 0.77 LTA4H (0.42) TP53MAPTHRH3KMT2A
SCHEMBL8554387 0.73 TRPV1 (0.46) L3MBTL1TP53MAPTHTTLMNA
SCHEMBL8553467 0.72 LMNA (0.48) L3MBTL1LMNAALDH1A1KMT2ASMN1; SMN2
SCHEMBL8552106 0.72 TRPV1 (0.50) L3MBTL1LMNAALDH1A1KMT2AGAA

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
EP-0840725-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-05-13 EP claimed