SCHEMBL7508549

SCHEMBL7508549

Cc1ccc(-c2oc(Cc3ccccc3)nc2-c2ccc(S(N)(=O)=O)cc2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 9/20 0.45
▸ PTGS1 P23219 7/20 0.45
▸ CA1 P00915 6/20 0.43
▸ CA2 P00918 6/20 0.43
▸ CA12 O43570 3/20 0.43
▸ CA9 Q16790 3/20 0.43
▸ CA14 Q9ULX7 2/20 0.43
▸ RXRA P19793 2/20 0.39
▸ RXRB P28702 2/20 0.39
▸ CDK4 P11802 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ MT-CO2 P00403 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CA3 P07451 1/20 0.39
▸ ADRB2 P07550 1/20 0.39
▸ ADRB1 P08588 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ ADRA2B P18089 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
SCHEMBL7505619 0.92 PTGS2 (0.45) PTGS2PTGS1CA1CA2CA12
SCHEMBL7502832 0.91 PTGS2 (0.47) PTGS2PTGS1RXRARXRB
SCHEMBL7499302 0.90 CA1 (0.51) PTGS2PTGS1CA1CA2CA12
SCHEMBL7511376 0.90 PTGS2 (0.47) PTGS2PTGS1CA1CA2CA12
SCHEMBL7507875 0.88 CA1 (0.43) PTGS2PTGS1CA1CA2CA12
SCHEMBL7501150 0.88 CA1 (0.47) PTGS2PTGS1CA1CA2CA12
SCHEMBL7511649 0.88 CA1 (0.48) PTGS2PTGS1CA1CA2CA12
SCHEMBL7496817 0.88 PTGS2 (0.43) PTGS2PTGS1CA1CA2CA12
SCHEMBL7505567 0.86 PTGS2 (0.50) PTGS2PTGS1CA1CA2CA12
SCHEMBL7500801 0.85 RXRA (0.53) PTGS2PTGS1CA1CA2CA12

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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