SCHEMBL7499042

SCHEMBL7499042

Cc1c(Cl)cccc1-c1oc(Cc2ccccc2)nc1-c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 5/20 0.45
▸ CA1 P00915 6/20 0.44
▸ CA2 P00918 6/20 0.44
▸ RXRA P19793 3/20 0.44
▸ RXRB P28702 3/20 0.44
▸ RXRG P48443 1/20 0.44
▸ CA12 O43570 3/20 0.43
▸ CA9 Q16790 3/20 0.43
▸ CA14 Q9ULX7 2/20 0.43
▸ TNIK Q9UKE5 1/20 0.43
▸ PTGS2 P35354 7/20 0.42
▸ PTGS1 P23219 6/20 0.42
▸ NR4A1 P22736 1/20 0.42
▸ NR4A3 Q92570 1/20 0.42
▸ LMNA P02545 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ MT-CO2 P00403 1/20 0.39
▸ CA3 P07451 1/20 0.39
▸ ADRB2 P07550 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
SCHEMBL7511507 0.92 CA1 (0.44) NR4A2CA1CA2RXRARXRB
SCHEMBL7510288 0.91 PTGS2 (0.48) NR4A2RXRARXRBRXRGPTGS2
SCHEMBL7500825 0.91 NR4A2 (0.55) NR4A2CA1CA2RXRARXRB
SCHEMBL7501558 0.88 PTGS2 (0.46) NR4A2CA1CA2RXRARXRB
SCHEMBL7505716 0.87 NR4A2 (0.43) NR4A2CA1CA2RXRARXRB
SCHEMBL7509766 0.87 CA1 (0.44) NR4A2CA1CA2RXRACA12
SCHEMBL7504402 0.86 RXRA (0.53) NR4A2CA1CA2RXRARXRB
SCHEMBL7508608 0.86 CA1 (0.48) NR4A2CA1CA2RXRARXRB
SCHEMBL8555541 0.86 NR4A2 (0.39) NR4A2CA1CA2RXRARXRB
SCHEMBL7507875 0.85 CA1 (0.43) NR4A2CA1CA2RXRARXRB

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 4 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
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