SCHEMBL9025618

SCHEMBL9025618

CCc1cc(-c2oc(Cc3ccccc3)nc2-c2ccc(S(C)(=O)=O)cc2)ccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 13/20 0.48
RXRA P19793 3/20 0.45
RXRB P28702 3/20 0.45
RXRG P48443 3/20 0.45
PTGS1 P23219 5/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
EPHX2 P34913 1/20 0.39
NR4A2 P43354 2/20 0.39
FAAH O00519 1/20 0.39
KCNH2 Q12809 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
SCHEMBL9030716 0.96 PTGS2 (0.48) PTGS2RXRARXRBRXRGPTGS1
SCHEMBL7505490 0.91 RXRA (0.55) PTGS2RXRARXRBRXRGPTGS1
SCHEMBL7497242 0.89 PTGS2 (0.52) PTGS2RXRARXRBRXRGPTGS1
SCHEMBL7501685 0.87 PTGS2 (0.52) PTGS2RXRARXRBRXRGPTGS1
SCHEMBL7503198 0.86 RXRA (0.55) PTGS2RXRARXRBRXRGPTGS1
SCHEMBL7507318 0.86 PTGS2 (0.47) PTGS2RXRARXRBRXRGPTGS1
SCHEMBL9025975 0.86 PTGS2 (0.51) PTGS2PTGS1NR4A2
SCHEMBL7505276 0.85 RXRA (0.55) PTGS2RXRARXRBRXRGPTGS1
SCHEMBL7502409 0.85 RXRA (0.53) PTGS2RXRARXRBRXRGPTGS1
SCHEMBL7511064 0.85 PTGS2 (0.57) PTGS2RXRARXRBRXRGPTGS1

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-0699192-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-06 EP claimed
WO-1994027980-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1994-12-08 WO claimed