SCHEMBL8993384

SCHEMBL8993384

CCS(=O)(=O)c1ccc(C2=C(c3cnc(Cl)c(OC)c3)CCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 17/20 0.51
PTGS1 P23219 9/20 0.50
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
PDE4B Q07343 1/20 0.41
PTGDR2 Q9Y5Y4 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
SCHEMBL8652333 0.88 PTGS2 (0.66) PTGS2PTGS1PDE4B
SCHEMBL8653702 0.87 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL8993358 0.80 PTGS2 (0.44) PTGS2PTGS1
SCHEMBL8993482 0.76 PTGS2 (0.77) PTGS2PTGS1
SCHEMBL6251471 0.76 PTGS2 (0.72) PTGS2PTGS1
SCHEMBL8993420 0.75 PTGS2 (0.71) PTGS2PTGS1
SCHEMBL8652881 0.75 PTGS2 (0.60) PTGS2PTGS1PDE4B
SCHEMBL8652454 0.75 PTGS2 (0.67) PTGS2PTGS1PDE4B
SCHEMBL8653276 0.74 PTGS2 (0.66) PTGS2PTGS1PDE4B
SCHEMBL8651733 0.74 PTGS2 (0.68) PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0724566-A1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-07 EP disclosed
WO-1995011883-A1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-05-04 WO disclosed