SCHEMBL9602073

SCHEMBL9602073

Cc1cc(-c2cc(Cl)cc(C)c2CN)ccc1F

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.42
PTGS1 P23219 4/20 0.42
CD274 Q9NZQ7 2/20 0.39
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
DAPK3 O43293 1/20 0.35
NTRK1 P04629 1/20 0.35
PIM1 P11309 1/20 0.35
FLT3 P36888 1/20 0.35
GSK3B P49841 1/20 0.35
ROCK1 Q13464 1/20 0.35
CLK4 Q9HAZ1 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
SCHEMBL9602188 0.86 PTGS2 (0.43) PTGS2PTGS1CD274
SCHEMBL9601014 0.79 CD274 (0.46) PTGS2PTGS1CD274
SCHEMBL5952499 0.76 SCN4A (0.37) CD274
SCHEMBL5170477 0.73 PTGS2 (0.41) PTGS2PTGS1
SCHEMBL16574098 0.73 MAP4K4 (0.48) PTGS2PTGS1SLC1A3SLC1A2SLC1A1
SCHEMBL10741025 0.72 PTGS2 (0.47) PTGS2PTGS1DAPK3NTRK1PIM1
SCHEMBL11131311 0.70 PTGS2 (0.41) PTGS2PTGS1DAPK3NTRK1PIM1
SCHEMBL5171324 0.70 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL9601318 0.70 AHR (0.43) SLC1A3SLC1A2SLC1A1
SCHEMBL9601003 0.69 DPP4 (0.49)

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
EP-0318181-B1 N-(Biphenylmethyl)-3-hydroxyglutaramic acids and derivatives as hypocholesterolemic agents PFIZER (US) 1993-06-16 EP disclosed
US-5169976-A N-(biphenylmethyl)-3-hydroxyglutaramic acid and derivatives as hypocholesterolemic agents PFIZER INC. (US) 1992-12-08 US disclosed
EP-0318181-A2 N-(Biphenylmethyl)-3-hydroxyglutaramic acids and derivatives as hypocholesterolemic agents PFIZER INC. (US) 1989-05-31 EP disclosed