SCHEMBL7504402

SCHEMBL7504402

Cc1ccccc1-c1oc(Cc2ccccc2)nc1-c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 2/20 0.53
▸ RXRB P28702 2/20 0.53
▸ NR4A2 P43354 1/20 0.53
▸ CA1 P00915 7/20 0.51
▸ CA2 P00918 7/20 0.51
▸ CA9 Q16790 5/20 0.51
▸ CA12 O43570 4/20 0.51
▸ CA14 Q9ULX7 2/20 0.48
▸ PTGS2 P35354 8/20 0.45
▸ PTGS1 P23219 5/20 0.45
▸ NPC1 O15118 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MT-CO2 P00403 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ CA3 P07451 1/20 0.43
▸ ADRB2 P07550 1/20 0.43
▸ ADRB1 P08588 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43

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
SCHEMBL7504983 0.91 RXRA (0.53) RXRARXRBNR4A2CA1CA2
SCHEMBL7503769 0.90 CA1 (0.49) RXRARXRBNR4A2CA1CA2
SCHEMBL7500803 0.90 RXRA (0.54) RXRARXRBNR4A2PTGS2PTGS1
SCHEMBL7501150 0.89 CA1 (0.47) RXRARXRBNR4A2CA1CA2
SCHEMBL7499302 0.89 CA1 (0.51) RXRARXRBNR4A2CA1CA2
SCHEMBL7505567 0.88 PTGS2 (0.50) RXRARXRBNR4A2CA1CA2
SCHEMBL7507947 0.88 LMNA (0.44) RXRARXRBNR4A2CA1CA2
SCHEMBL7500825 0.87 NR4A2 (0.55) RXRARXRBNR4A2CA1CA2
SCHEMBL7511649 0.87 CA1 (0.48) NR4A2CA1CA2CA9CA12
SCHEMBL7501558 0.86 PTGS2 (0.46) RXRARXRBNR4A2CA1CA2

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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