SCHEMBL8993451

SCHEMBL8993451

CS(=O)(=O)c1cnc(C2=CCCC2)c(CO)c1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.39
FFAR2 O15552 2/20 0.31
PTPN11 Q06124 1/20 0.31
MAPK1 P28482 1/20 0.31
PIM1 P11309 1/20 0.31
TRPV1 Q8NER1 1/20 0.30
PDGFRB P09619 1/20 0.30
PDGFRA P16234 1/20 0.30
PTGS1 P23219 2/20 0.30
S100A9 P06702 1/20 0.30

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
SCHEMBL8993449 0.80 PTGS2 (0.45) PTGS2PDGFRBPDGFRAPTGS1S100A9
SCHEMBL8993514 0.76 PTGS2 (0.52) PTGS2
SCHEMBL8993563 0.70 PTGS2 (0.35) PTGS2
SCHEMBL8993495 0.67 PIM1 (0.37) PIM1TRPV1
SCHEMBL8993599 0.65 PTGS2 (0.49) PTGS2PTGS1
SCHEMBL8993497 0.62 CSF1R (0.31)
SCHEMBL17196425 0.60 HRH4 (0.36) PTGS2PTGS1S100A9
SCHEMBL17177764 0.60 HRH4 (0.39) PTGS2PTGS1S100A9
SCHEMBL16835995 0.60 TRPV1 (0.40) TRPV1
SCHEMBL4432809 0.59 LMNA (0.50) PTGS2

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