SCHEMBL7503849

SCHEMBL7503849

Cc1cc(Cl)ccc1-c1oc(Cc2ccccc2)nc1-c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 12/20 0.47
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ RXRA P19793 4/20 0.43
▸ RXRB P28702 4/20 0.43
▸ FAAH O00519 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ PTGS1 P23219 4/20 0.41
▸ NR4A2 P43354 1/20 0.41
▸ RXRG P48443 2/20 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
SCHEMBL7513407 0.92 PTGS2 (0.47) PTGS2ALDH1A1LMNAMAPTRXRA
SCHEMBL7507947 0.91 LMNA (0.44) PTGS2ALDH1A1LMNAMAPTRXRA
SCHEMBL7506181 0.91 RXRA (0.46) PTGS2ALDH1A1LMNAMAPTRXRA
SCHEMBL7501461 0.90 PTGS2 (0.49) PTGS2RXRARXRBPTGS1NR4A2
SCHEMBL7497030 0.89 RXRA (0.56) PTGS2ALDH1A1LMNAMAPTRXRA
SCHEMBL7502506 0.88 PTGS2 (0.52) PTGS2RXRARXRBPTGS1NR4A2
SCHEMBL7503952 0.87 RXRA (0.44) PTGS2ALDH1A1LMNAMAPTRXRA
SCHEMBL7500803 0.87 RXRA (0.54) PTGS2RXRARXRBPTGS1NR4A2
SCHEMBL7511064 0.86 PTGS2 (0.57) PTGS2ALDH1A1LMNAMAPTRXRA
SCHEMBL7508948 0.86 PTGS2 (0.47) PTGS2ALDH1A1LMNAMAPTRXRA

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 7 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
EP-0825989-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-03-04 — — EP 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
EP-0699192-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-06 — — EP disclosed
WO-1994027980-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1994-12-08 — — WO disclosed
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