SCHEMBL8635527

SCHEMBL8635527

COC(=O)c1c(-c2ccc(C)cc2)c(-c2ccc(S(C)(=O)=O)cc2)nn1CCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.55
MAPK8 P45983 3/20 0.46
PTGS1 P23219 3/20 0.44
MAPK9 P45984 1/20 0.41
MAPK10 P53779 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL8175570 0.91 CA9 (0.52) PTGS2CA12CA1CA2CA9
SCHEMBL8174610 0.91 PTGS2 (0.55) PTGS2MAPK8PTGS1MAPK9MAPK10
SCHEMBL8176088 0.90 PTGS2 (0.56) PTGS2MAPK8PTGS1MAPK9MAPK10
SCHEMBL7777566 0.90 PTGS2 (0.59) PTGS2PTGS1
SCHEMBL7777989 0.87 PTGS2 (0.54) PTGS2PTGS1
SCHEMBL8181641 0.85 PTGS2 (0.52) PTGS2MAPK8PTGS1
SCHEMBL8181707 0.85 PTGS2 (0.51) PTGS2MAPK8PTGS1CA12CA1
SCHEMBL7779814 0.84 PTGS2 (0.63) PTGS2PTGS1
SCHEMBL8176221 0.83 CA12 (0.53) PTGS2PTGS1MAPK9CA12CA1
SCHEMBL8630923 0.82 MAPK8 (0.54) PTGS2MAPK8PTGS1MAPK9MAPK10

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
US-5756530-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G. D. SEARLE & CO. (US) 1998-05-26 US disclosed