SCHEMBL7513407

SCHEMBL7513407

Cc1cc(Cl)ccc1-c1nc(Cc2ccccc2)oc1-c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 13/20 0.47
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ PTGS1 P23219 4/20 0.42
▸ RXRA P19793 3/20 0.41
▸ RXRB P28702 3/20 0.41
▸ RXRG P48443 3/20 0.41
▸ FAAH O00519 1/20 0.40
▸ KCNH2 Q12809 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
SCHEMBL7503849 0.92 PTGS2 (0.47) PTGS2ALDH1A1LMNAMAPTPTGS1
SCHEMBL7506418 0.91 MAPT (0.44) PTGS2ALDH1A1LMNAMAPTPTGS1
SCHEMBL7503574 0.91 PTGS2 (0.46) PTGS2ALDH1A1LMNAMAPTPTGS1
SCHEMBL7504876 0.90 PTGS2 (0.49) PTGS2PTGS1RXRARXRBRXRG
SCHEMBL7511592 0.89 RXRA (0.46) PTGS2ALDH1A1LMNAMAPTPTGS1
SCHEMBL7502608 0.88 PTGS2 (0.49) PTGS2PTGS1RXRARXRBRXRG
SCHEMBL7508070 0.87 PTGS2 (0.43) PTGS2ALDH1A1LMNAMAPTPTGS1
SCHEMBL7508189 0.87 RXRA (0.54) PTGS2ALDH1A1MAPTPTGS1RXRA
SCHEMBL7511064 0.86 PTGS2 (0.57) PTGS2ALDH1A1LMNAMAPTPTGS1
SCHEMBL7507741 0.86 PTGS2 (0.47) PTGS2ALDH1A1LMNAMAPTPTGS1

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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