SCHEMBL7502148

SCHEMBL7502148

COc1cc(OC)cc(-c2oc(Cc3ccccc3)nc2-c2ccc(S(C)(=O)=O)cc2)c1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.50
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
PTGS1 P23219 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PPARD Q03181 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
SCHEMBL7509586 0.96 PTGS2 (0.50) PTGS2RXRARXRBPTGS1KDM4E
SCHEMBL7501053 0.92 RXRA (0.59) PTGS2RXRARXRBPTGS1KDM4E
SCHEMBL7498353 0.91 PTGS2 (0.55) PTGS2RXRARXRBPTGS1TDP1
SCHEMBL7501042 0.91 PTGS2 (0.55) PTGS2RXRARXRBPTGS1TDP1
SCHEMBL7508768 0.91 RXRA (0.47) PTGS2RXRARXRBPTGS1KDM4E
SCHEMBL7504268 0.90 RXRA (0.53) PTGS2RXRARXRBPTGS1KDM4E
SCHEMBL7500980 0.87 PTGS2 (0.47) PTGS2RXRARXRBPTGS1MAPT
SCHEMBL7502011 0.86 PTGS2 (0.66) PTGS2RXRARXRBPTGS1KDM4E
SCHEMBL7504432 0.86 PTGS2 (0.66) PTGS2RXRARXRBPTGS1KDM4E
SCHEMBL7507991 0.86 PTGS2 (0.49) PTGS2RXRARXRBPTGS1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699192-B1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-07-24 EP disclosed
US-6090834-A ANALGESICS; RHEUMATIC DISORDERS; SKIN DISORDERS; GASTROINTESTINAL DISORDERS G.D. SEARLE & CO. (US) 2000-07-18 US disclosed
US-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed
WO-1996036617-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-11-21 WO disclosed