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SCHEMBL8550175

SCHEMBL8550175

CS(=O)(=O)c1ccc(-c2cc(Cl)c(-c3coc(Cc4ccccc4)n3)c(Cl)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 16/20 0.42
▸ PTGS1 P23219 4/20 0.42
▸ TP53 P04637 2/20 0.40
▸ LMNA P02545 2/20 0.39
▸ THRB P10828 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ NR1H2 P55055 1/20 0.38
▸ NR1H3 Q13133 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
SCHEMBL8551030 0.91 TP53 (0.43) PTGS2PTGS1TP53LMNATHRB
SCHEMBL8551034 0.86 PTGS2 (0.42) PTGS2PTGS1LMNAALDH1A1MAPT
SCHEMBL8551144 0.85 ERN1 (0.42) PTGS2PTGS1TP53NR1H2NR1H3
SCHEMBL8550177 0.84 PTGS2 (0.42) PTGS2PTGS1TP53LMNAALDH1A1
SCHEMBL8547371 0.79 PTGS2 (0.47) PTGS2PTGS1TP53LMNATHRB
SCHEMBL8551014 0.79 PTGS2 (0.41) PTGS2PTGS1TP53LMNATHRB
SCHEMBL8552226 0.78 PTGS2 (0.47) PTGS2PTGS1TP53LMNATHRB
SCHEMBL8548972 0.78 PTGS2 (0.42) PTGS2PTGS1TP53
SCHEMBL8552225 0.77 PTGS2 (0.46) PTGS2PTGS1TP53
SCHEMBL8547373 0.77 PTGS2 (0.46) PTGS2PTGS1TP53LMNATHRB

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
EP-0825989-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-03-04 — — EP disclosed