SCHEMBL7511507

SCHEMBL7511507

Cc1c(Cl)cccc1-c1nc(Cc2ccccc2)oc1-c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 5/20 0.44
▸ CA2 P00918 5/20 0.44
▸ RXRA P19793 2/20 0.43
▸ RXRB P28702 2/20 0.43
▸ NR4A2 P43354 2/20 0.43
▸ CA12 O43570 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ TNIK Q9UKE5 1/20 0.43
▸ PTGS2 P35354 10/20 0.42
▸ PTGS1 P23219 6/20 0.42
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RXRG P48443 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
SCHEMBL7499042 0.92 NR4A2 (0.45) CA1CA2RXRARXRBNR4A2
SCHEMBL7510702 0.91 PTGS2 (0.48) RXRARXRBNR4A2PTGS2PTGS1
SCHEMBL7513361 0.91 NR4A2 (0.53) CA1CA2RXRARXRBNR4A2
SCHEMBL7504190 0.88 PTGS2 (0.46) CA1CA2RXRARXRBCA12
SCHEMBL7508430 0.87 CA2 (0.42) CA1CA2RXRARXRBNR4A2
SCHEMBL7506168 0.87 RXRA (0.47) CA1CA2RXRACA12CA9
SCHEMBL7504983 0.86 RXRA (0.53) CA1CA2RXRARXRBNR4A2
SCHEMBL7502817 0.86 CA1 (0.48) CA1CA2RXRARXRBNR4A2
SCHEMBL8556383 0.86 NR4A2 (0.39) CA1CA2RXRARXRBNR4A2
SCHEMBL7500284 0.85 CA1 (0.43) CA1CA2RXRARXRBNR4A2

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 6 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
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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