SCHEMBL7504983

SCHEMBL7504983

Cc1ccccc1-c1nc(Cc2ccccc2)oc1-c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 3/20 0.53
▸ RXRB P28702 2/20 0.53
▸ RXRG P48443 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 10/20 0.45
▸ PTGS1 P23219 7/20 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
▸ NR4A2 P43354 1/20 0.42
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ MT-CO2 P00403 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CA3 P07451 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
SCHEMBL7504402 0.91 RXRA (0.53) RXRARXRBRXRGCA1CA2
SCHEMBL7507807 0.90 RXRA (0.54) RXRARXRBRXRGCA1CA2
SCHEMBL7508189 0.90 RXRA (0.54) RXRARXRBRXRGPTGS2PTGS1
SCHEMBL7505895 0.89 CA1 (0.44) RXRARXRBRXRGCA1CA2
SCHEMBL7503499 0.89 CA1 (0.51) RXRARXRBRXRGCA1CA2
SCHEMBL7506418 0.88 MAPT (0.44) RXRARXRBRXRGCA1CA2
SCHEMBL7502006 0.88 PTGS2 (0.50) RXRARXRBRXRGCA1CA2
SCHEMBL7513361 0.87 NR4A2 (0.53) RXRARXRBCA1CA2CA9
SCHEMBL7513276 0.87 CA1 (0.48) CA1CA2CA9CA12CA14
SCHEMBL7511507 0.86 CA1 (0.44) RXRARXRBRXRGCA1CA2

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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