SCHEMBL7507875

SCHEMBL7507875

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 7/20 0.43
▸ CA2 P00918 7/20 0.43
▸ CA12 O43570 3/20 0.43
▸ CA9 Q16790 3/20 0.43
▸ CA14 Q9ULX7 2/20 0.43
▸ NR4A2 P43354 4/20 0.42
▸ PTGS1 P23219 6/20 0.41
▸ PTGS2 P35354 6/20 0.41
▸ RXRA P19793 3/20 0.41
▸ RXRB P28702 3/20 0.41
▸ NR4A1 P22736 1/20 0.40
▸ NR4A3 Q92570 1/20 0.40
▸ LMNA P02545 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MT-CO2 P00403 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

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
SCHEMBL7500284 0.92 CA1 (0.43) CA1CA2CA12CA9CA14
SCHEMBL7508948 0.91 PTGS2 (0.47) NR4A2PTGS1PTGS2RXRARXRB
SCHEMBL7499302 0.90 CA1 (0.51) CA1CA2CA12CA9CA14
SCHEMBL7509654 0.90 RXRA (0.46) CA1CA2CA12CA9CA14
SCHEMBL7508549 0.88 PTGS2 (0.45) CA1CA2CA12CA9CA14
SCHEMBL7501150 0.88 CA1 (0.47) CA1CA2CA12CA9CA14
SCHEMBL7500825 0.88 NR4A2 (0.55) CA1CA2CA12CA9CA14
SCHEMBL7506552 0.88 CA2 (0.42) CA1CA2CA12CA9CA14
SCHEMBL7507947 0.86 LMNA (0.44) CA1CA2CA12CA9CA14
SCHEMBL7500801 0.85 RXRA (0.53) CA1CA2CA12CA9CA14

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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