SCHEMBL7506418

SCHEMBL7506418

Cc1cc(Cl)ccc1-c1nc(Cc2ccccc2)oc1-c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ CA1 P00915 5/20 0.43
▸ CA2 P00918 5/20 0.43
▸ CA12 O43570 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ PTGS2 P35354 8/20 0.41
▸ PTGS1 P23219 6/20 0.41
▸ RXRA P19793 3/20 0.41
▸ RXRB P28702 3/20 0.41
▸ RXRG P48443 3/20 0.41
▸ GRM2 Q14416 1/20 0.39
▸ PTGER1 P34995 1/20 0.38

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
SCHEMBL7507947 0.92 LMNA (0.44) MAPTALDH1A1LMNACA1CA2
SCHEMBL7513407 0.91 PTGS2 (0.47) MAPTALDH1A1LMNAPTGS2PTGS1
SCHEMBL7504953 0.90 CA2 (0.44) MAPTALDH1A1LMNACA1CA2
SCHEMBL7503499 0.90 CA1 (0.51) MAPTCA1CA2CA12CA9
SCHEMBL7502006 0.88 PTGS2 (0.50) MAPTCA1CA2CA12CA9
SCHEMBL7505854 0.88 RXRA (0.46) MAPTALDH1A1LMNACA1CA2
SCHEMBL7504983 0.88 RXRA (0.53) LMNACA1CA2CA12CA9
SCHEMBL7501551 0.88 CA2 (0.43) MAPTALDH1A1LMNACA1CA2
SCHEMBL7500284 0.86 CA1 (0.43) MAPTALDH1A1LMNACA1CA2
SCHEMBL7504153 0.85 RXRA (0.53) MAPTALDH1A1LMNACA1CA2

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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