SCHEMBL8779768

SCHEMBL8779768

Cc1ccccc1N(OC(C)C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.43
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
TP53 P04637 1/20 0.38
LMNA P02545 3/20 0.37
CYP3A4 P08684 2/20 0.36
KDM4E B2RXH2 3/20 0.36
TEAD1 P28347 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL8779737 0.80 TRPM8 (0.46) TRPM8KMT2AMEN1TP53LMNA
SCHEMBL27352619 0.78 TSHR (0.43) KMT2AMEN1TP53LMNAL3MBTL1
SCHEMBL8779792 0.76 TRPM8 (0.50) TRPM8KMT2AMEN1TP53LMNA
SCHEMBL12465941 0.74 ACHE (0.38) TRPM8LMNACYP3A4KDM4EALDH1A1
SCHEMBL8779621 0.73 TRPM8 (0.51) TRPM8KMT2AMEN1TP53LMNA
SCHEMBL8779541 0.71 TRPM8 (0.51) TRPM8KMT2AMEN1TP53LMNA
SCHEMBL3650052 0.71 TRPM8 (0.42) TRPM8KMT2AMEN1TP53LMNA
SCHEMBL8187602 0.70 TRPM8 (0.50) TRPM8KMT2AMEN1TP53LMNA
SCHEMBL1029152 0.70 TRPM8 (0.50) TRPM8KMT2ALMNAALDH1A1
Benzene SCHEMBL28335658 0.70 TRPM8 (0.50) TRPM8KMT2ALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0525197-B1 3-BENZYLIDENE-1-CARBAMOYL-2-PYRROLIDONE ANALOGS SHIONOGI & CO (JP) 1997-08-27 EP disclosed
US-5319100-A Antiinflammatory agent which does not cause stomach diseases SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1994-06-07 US disclosed
US-5319099-A Antiinflammatory agent which does not cause stomach diseases SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1994-06-07 US disclosed
EP-0525197-A1 3-BENZYLIDENE-1-CARBAMOYL-2-PYRROLIDONE ANALOG SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1993-02-03 EP disclosed