SCHEMBL8552226

SCHEMBL8552226

Cc1cc(-c2coc(Cc3ccccc3)n2)ccc1-c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.47
PTGS1 P23219 2/20 0.47
TP53 P04637 3/20 0.43
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
DHFR P00374 1/20 0.40
ENPP3 O14638 1/20 0.39
ENPP1 P22413 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL8547371 0.90 PTGS2 (0.47) PTGS2PTGS1TP53LMNATHRB
SCHEMBL8546693 0.86 PTGS2 (0.46) PTGS2PTGS1TP53POLB
SCHEMBL8552225 0.86 PTGS2 (0.46) PTGS2PTGS1TP53POLB
SCHEMBL8547373 0.84 PTGS2 (0.46) PTGS2PTGS1TP53LMNATHRB
SCHEMBL8546636 0.83 PTGS2 (0.40) PTGS2PTGS1TP53LMNATHRB
SCHEMBL8551355 0.81 PTGS2 (0.50) PTGS2PTGS1
SCHEMBL8551030 0.80 TP53 (0.43) PTGS2PTGS1TP53LMNATHRB
SCHEMBL8548972 0.80 PTGS2 (0.42) PTGS2PTGS1TP53
SCHEMBL8550177 0.80 PTGS2 (0.42) PTGS2PTGS1TP53LMNA
SCHEMBL8615956 0.79 PTGS2 (0.47) 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
EP-0825989-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-03-04 EP disclosed