SCHEMBL8779792

SCHEMBL8779792

CCON(C(=O)O)c1ccccc1C

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.50
LMNA P02545 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
TP53 P04637 2/20 0.43
CYP3A4 P08684 2/20 0.43
TEAD1 P28347 1/20 0.42
TSHR P16473 3/20 0.41
MAPK1 P28482 1/20 0.40
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
OPRM1 P35372 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL9175691 0.86 ALDH1A1 (0.44) TRPM8LMNAALDH1A1KDM4EKMT2A
SCHEMBL8634893 0.85 LMNA (0.47) TRPM8LMNAALDH1A1KDM4EKMT2A
SCHEMBL8779621 0.83 TRPM8 (0.51) TRPM8LMNAALDH1A1KMT2AMEN1
SCHEMBL8779737 0.80 TRPM8 (0.46) TRPM8LMNAALDH1A1KDM4EKMT2A
SCHEMBL5512049 0.78 ALDH1A1 (0.47) LMNAALDH1A1KMT2AMEN1TP53
SCHEMBL9714447 0.77 ALDH1A1 (0.39) TRPM8LMNAALDH1A1KDM4EKMT2A
SCHEMBL8779768 0.76 TRPM8 (0.43) TRPM8LMNAALDH1A1KDM4EKMT2A
SCHEMBL7601412 0.76 ALDH1A1 (0.44) TRPM8LMNAALDH1A1KDM4EKMT2A
SCHEMBL11652965 0.75 TRPM8 (0.56) TRPM8LMNAALDH1A1KDM4EKMT2A
SCHEMBL7194821 0.74 ALDH1A1 (0.41) TRPM8LMNAALDH1A1KDM4EKMT2A

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