SCHEMBL9118399

SCHEMBL9118399

COc1ccc(C2=CC3(C=C2c2ccc(S(=O)(=O)C(F)(F)F)cc2)CC3)cc1C

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.57
PTGS1 P23219 5/20 0.57
GAA P10253 2/20 0.41
EPAS1 Q99814 4/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL9116863 0.91 PTGS2 (0.59) PTGS2PTGS1EPAS1SMN1; SMN2LMNA
SCHEMBL9118716 0.88 PTGS2 (0.57) PTGS2PTGS1EPAS1
SCHEMBL9116477 0.88 PTGS2 (0.57) PTGS2PTGS1EPAS1LMNA
SCHEMBL9118462 0.87 PTGS2 (0.56) PTGS2PTGS1GAAEPAS1SMN1; SMN2
SCHEMBL9118525 0.87 PTGS2 (0.75) PTGS2PTGS1EPAS1
SCHEMBL9239644 0.87 PTGS2 (0.50) PTGS2PTGS1EPAS1SMN1; SMN2LMNA
SCHEMBL9116789 0.85 PTGS2 (0.76) PTGS2PTGS1SMN1; SMN2LMNAALDH1A1
SCHEMBL9116767 0.85 PTGS2 (0.52) PTGS2PTGS1GAAEPAS1SMN1; SMN2
SCHEMBL9118082 0.85 PTGS2 (0.58) PTGS2PTGS1GAAEPAS1SMN1; SMN2
SCHEMBL9119158 0.84 PTGS2 (0.60) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995030652-A1 SUBSTITUTED SPIRODIENES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-11-16 WO disclosed